----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:59:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.841366150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135029660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.279833190000002 Atomic positions (fractional): *1 Ca 0.84730705852531 0.60659969087580 0.60505047614285 40.078 *2 Ca 0.00000000000000 0.95514323537892 0.25000000000000 40.078 3 Ca 0.50000000000000 0.45514323537892 0.25000000000000 40.078 4 Ca 0.65269294147469 0.10659969087580 0.60505047614285 40.078 5 Ca 0.34730705852531 0.89340030912420 0.39494952385715 40.078 6 Ca 0.50000000000000 0.54485676462108 0.75000000000000 40.078 7 Ca 0.84730705852531 0.39340030912420 0.10505047614285 40.078 8 Ca 0.00000000000000 0.04485676462108 0.75000000000000 40.078 9 Ca 0.15269294147469 0.39340030912420 0.39494952385715 40.078 10 Ca 0.15269294147469 0.60659969087580 0.89494952385715 40.078 11 Ca 0.34730705852531 0.10659969087580 0.89494952385715 40.078 12 Ca 0.65269294147469 0.89340030912420 0.10505047614285 40.078 *13 N 0.11205367389112 0.75272031960417 0.53180778883759 14.007 14 N 0.38794632610888 0.74727968039583 0.03180778883759 14.007 15 N 0.38794632610888 0.25272031960417 0.53180778883759 14.007 16 N 0.61205367389112 0.74727968039583 0.46819221116241 14.007 17 N 0.88794632610888 0.75272031960417 0.96819221116241 14.007 18 N 0.61205367389112 0.25272031960417 0.96819221116241 14.007 19 N 0.88794632610888 0.24727968039583 0.46819221116241 14.007 20 N 0.11205367389112 0.24727968039583 0.03180778883759 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.841366150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135029660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.279833190000002 Atomic positions (fractional): *1 Ca 0.84730705852531 0.60659969087580 0.60505047614285 40.078 > 1 *2 Ca 0.00000000000000 0.95514323537892 0.25000000000000 40.078 > 2 3 Ca 0.50000000000000 0.45514323537892 0.25000000000000 40.078 > 3 4 Ca 0.65269294147469 0.10659969087580 0.60505047614285 40.078 > 4 5 Ca 0.34730705852531 0.89340030912420 0.39494952385715 40.078 > 5 6 Ca 0.50000000000000 0.54485676462108 0.75000000000000 40.078 > 6 7 Ca 0.84730705852531 0.39340030912420 0.10505047614285 40.078 > 7 8 Ca 0.00000000000000 0.04485676462108 0.75000000000000 40.078 > 8 9 Ca 0.15269294147469 0.39340030912420 0.39494952385715 40.078 > 9 10 Ca 0.15269294147469 0.60659969087580 0.89494952385715 40.078 > 10 11 Ca 0.34730705852531 0.10659969087580 0.89494952385715 40.078 > 11 12 Ca 0.65269294147469 0.89340030912420 0.10505047614285 40.078 > 12 *13 N 0.11205367389112 0.75272031960417 0.53180778883759 14.007 > 13 14 N 0.38794632610888 0.74727968039583 0.03180778883759 14.007 > 14 15 N 0.38794632610888 0.25272031960417 0.53180778883759 14.007 > 15 16 N 0.61205367389112 0.74727968039583 0.46819221116241 14.007 > 16 17 N 0.88794632610888 0.75272031960417 0.96819221116241 14.007 > 17 18 N 0.61205367389112 0.25272031960417 0.96819221116241 14.007 > 18 19 N 0.88794632610888 0.24727968039583 0.46819221116241 14.007 > 19 20 N 0.11205367389112 0.24727968039583 0.03180778883759 14.007 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.841366150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.270059320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.559666380000005 Atomic positions (fractional): *1 Ca 0.84730705852531 0.30329984543790 0.30252523807142 40.078 > 1 2 Ca 0.84730705852531 0.80329984543790 0.30252523807142 40.078 > 1 3 Ca 0.84730705852531 0.30329984543790 0.80252523807142 40.078 > 1 4 Ca 0.84730705852531 0.80329984543790 0.80252523807142 40.078 > 1 *5 Ca 0.00000000000000 0.47757161768946 0.12500000000000 40.078 > 2 6 Ca 0.00000000000000 0.97757161768946 0.12500000000000 40.078 > 2 7 Ca 0.00000000000000 0.47757161768946 0.62500000000000 40.078 > 2 8 Ca 0.00000000000000 0.97757161768946 0.62500000000000 40.078 > 2 9 Ca 0.50000000000000 0.22757161768946 0.12500000000000 40.078 > 3 10 Ca 0.50000000000000 0.72757161768946 0.12500000000000 40.078 > 3 11 Ca 0.50000000000000 0.22757161768946 0.62500000000000 40.078 > 3 12 Ca 0.50000000000000 0.72757161768946 0.62500000000000 40.078 > 3 13 Ca 0.65269294147469 0.05329984543790 0.30252523807142 40.078 > 4 14 Ca 0.65269294147469 0.55329984543790 0.30252523807142 40.078 > 4 15 Ca 0.65269294147469 0.05329984543790 0.80252523807142 40.078 > 4 16 Ca 0.65269294147469 0.55329984543790 0.80252523807142 40.078 > 4 17 Ca 0.34730705852531 0.44670015456210 0.19747476192858 40.078 > 5 18 Ca 0.34730705852531 0.94670015456210 0.19747476192858 40.078 > 5 19 Ca 0.34730705852531 0.44670015456210 0.69747476192858 40.078 > 5 20 Ca 0.34730705852531 0.94670015456210 0.69747476192858 40.078 > 5 21 Ca 0.50000000000000 0.27242838231054 0.37500000000000 40.078 > 6 22 Ca 0.50000000000000 0.77242838231054 0.37500000000000 40.078 > 6 23 Ca 0.50000000000000 0.27242838231054 0.87500000000000 40.078 > 6 24 Ca 0.50000000000000 0.77242838231054 0.87500000000000 40.078 > 6 25 Ca 0.84730705852531 0.19670015456210 0.05252523807142 40.078 > 7 26 Ca 0.84730705852531 0.69670015456210 0.05252523807142 40.078 > 7 27 Ca 0.84730705852531 0.19670015456210 0.55252523807142 40.078 > 7 28 Ca 0.84730705852531 0.69670015456210 0.55252523807142 40.078 > 7 29 Ca 0.00000000000000 0.02242838231054 0.37500000000000 40.078 > 8 30 Ca 0.00000000000000 0.52242838231054 0.37500000000000 40.078 > 8 31 Ca 0.00000000000000 0.02242838231054 0.87500000000000 40.078 > 8 32 Ca 0.00000000000000 0.52242838231054 0.87500000000000 40.078 > 8 33 Ca 0.15269294147469 0.19670015456210 0.19747476192858 40.078 > 9 34 Ca 0.15269294147469 0.69670015456210 0.19747476192858 40.078 > 9 35 Ca 0.15269294147469 0.19670015456210 0.69747476192858 40.078 > 9 36 Ca 0.15269294147469 0.69670015456210 0.69747476192858 40.078 > 9 37 Ca 0.15269294147469 0.30329984543790 0.44747476192858 40.078 > 10 38 Ca 0.15269294147469 0.80329984543790 0.44747476192858 40.078 > 10 39 Ca 0.15269294147469 0.30329984543790 0.94747476192858 40.078 > 10 40 Ca 0.15269294147469 0.80329984543790 0.94747476192858 40.078 > 10 41 Ca 0.34730705852531 0.05329984543790 0.44747476192858 40.078 > 11 42 Ca 0.34730705852531 0.55329984543790 0.44747476192858 40.078 > 11 43 Ca 0.34730705852531 0.05329984543790 0.94747476192858 40.078 > 11 44 Ca 0.34730705852531 0.55329984543790 0.94747476192858 40.078 > 11 45 Ca 0.65269294147469 0.44670015456210 0.05252523807142 40.078 > 12 46 Ca 0.65269294147469 0.94670015456210 0.05252523807142 40.078 > 12 47 Ca 0.65269294147469 0.44670015456210 0.55252523807142 40.078 > 12 48 Ca 0.65269294147469 0.94670015456210 0.55252523807142 40.078 > 12 *49 N 0.11205367389112 0.37636015980209 0.26590389441879 14.007 > 13 50 N 0.11205367389112 0.87636015980209 0.26590389441879 14.007 > 13 51 N 0.11205367389112 0.37636015980209 0.76590389441879 14.007 > 13 52 N 0.11205367389112 0.87636015980209 0.76590389441879 14.007 > 13 53 N 0.38794632610888 0.37363984019791 0.01590389441879 14.007 > 14 54 N 0.38794632610888 0.87363984019791 0.01590389441879 14.007 > 14 55 N 0.38794632610888 0.37363984019791 0.51590389441879 14.007 > 14 56 N 0.38794632610888 0.87363984019791 0.51590389441879 14.007 > 14 57 N 0.38794632610888 0.12636015980209 0.26590389441879 14.007 > 15 58 N 0.38794632610888 0.62636015980209 0.26590389441879 14.007 > 15 59 N 0.38794632610888 0.12636015980209 0.76590389441879 14.007 > 15 60 N 0.38794632610888 0.62636015980209 0.76590389441879 14.007 > 15 61 N 0.61205367389112 0.37363984019791 0.23409610558121 14.007 > 16 62 N 0.61205367389112 0.87363984019791 0.23409610558121 14.007 > 16 63 N 0.61205367389112 0.37363984019791 0.73409610558121 14.007 > 16 64 N 0.61205367389112 0.87363984019791 0.73409610558121 14.007 > 16 65 N 0.88794632610888 0.37636015980209 0.48409610558121 14.007 > 17 66 N 0.88794632610888 0.87636015980209 0.48409610558121 14.007 > 17 67 N 0.88794632610888 0.37636015980209 0.98409610558121 14.007 > 17 68 N 0.88794632610888 0.87636015980209 0.98409610558121 14.007 > 17 69 N 0.61205367389112 0.12636015980209 0.48409610558121 14.007 > 18 70 N 0.61205367389112 0.62636015980209 0.48409610558121 14.007 > 18 71 N 0.61205367389112 0.12636015980209 0.98409610558121 14.007 > 18 72 N 0.61205367389112 0.62636015980209 0.98409610558121 14.007 > 18 73 N 0.88794632610888 0.12363984019791 0.23409610558121 14.007 > 19 74 N 0.88794632610888 0.62363984019791 0.23409610558121 14.007 > 19 75 N 0.88794632610888 0.12363984019791 0.73409610558121 14.007 > 19 76 N 0.88794632610888 0.62363984019791 0.73409610558121 14.007 > 19 77 N 0.11205367389112 0.12363984019791 0.01590389441879 14.007 > 20 78 N 0.11205367389112 0.62363984019791 0.01590389441879 14.007 > 20 79 N 0.11205367389112 0.12363984019791 0.51590389441879 14.007 > 20 80 N 0.11205367389112 0.62363984019791 0.51590389441879 14.007 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6796701 0.0000000 0.0000000 0.0000000 6.5307767 0.0000000 0.0000000 0.0000000 6.8628155 -------------------------- Born effective charges -------------------------- 1 Ca 2.1446905 0.1747840 0.0232523 0.1143594 2.0069998 0.0900518 -0.0984162 0.0916924 1.9892536 2 Ca 1.8085312 0.0000000 0.0176203 0.0000000 2.0366759 -0.0000000 -0.1838731 0.0000000 2.2285454 3 Ca 1.8085312 0.0000000 -0.0176203 0.0000000 2.0366759 -0.0000000 0.1838731 0.0000000 2.2285454 4 Ca 2.1446905 -0.1747840 -0.0232523 -0.1143594 2.0069998 0.0900518 0.0984162 0.0916924 1.9892536 5 Ca 2.1446905 -0.1747840 -0.0232523 -0.1143594 2.0069998 0.0900518 0.0984162 0.0916924 1.9892536 6 Ca 1.8085312 0.0000000 -0.0176203 0.0000000 2.0366759 -0.0000000 0.1838731 0.0000000 2.2285454 7 Ca 2.1446905 -0.1747840 0.0232523 -0.1143594 2.0069998 -0.0900518 -0.0984162 -0.0916924 1.9892536 8 Ca 1.8085312 0.0000000 0.0176203 0.0000000 2.0366759 -0.0000000 -0.1838731 0.0000000 2.2285454 9 Ca 2.1446905 0.1747840 0.0232523 0.1143594 2.0069998 0.0900518 -0.0984162 0.0916924 1.9892536 10 Ca 2.1446905 -0.1747840 0.0232523 -0.1143594 2.0069998 -0.0900518 -0.0984162 -0.0916924 1.9892536 11 Ca 2.1446905 0.1747840 -0.0232523 0.1143594 2.0069998 -0.0900518 0.0984162 -0.0916924 1.9892536 12 Ca 2.1446905 0.1747840 -0.0232523 0.1143594 2.0069998 -0.0900518 0.0984162 -0.0916924 1.9892536 13 N -3.0489561 -0.1408245 0.1310758 0.2372453 -3.0253377 0.1828618 0.1336627 -0.1505916 -3.1035263 14 N -3.0489561 -0.1408245 -0.1310758 0.2372453 -3.0253377 -0.1828618 -0.1336627 0.1505916 -3.1035263 15 N -3.0489561 0.1408245 -0.1310758 -0.2372453 -3.0253377 0.1828618 -0.1336627 -0.1505916 -3.1035263 16 N -3.0489561 0.1408245 -0.1310758 -0.2372453 -3.0253377 0.1828618 -0.1336627 -0.1505916 -3.1035263 17 N -3.0489561 0.1408245 0.1310758 -0.2372453 -3.0253377 -0.1828618 0.1336627 0.1505916 -3.1035263 18 N -3.0489561 -0.1408245 -0.1310758 0.2372453 -3.0253377 -0.1828618 -0.1336627 0.1505916 -3.1035263 19 N -3.0489561 -0.1408245 0.1310758 0.2372453 -3.0253377 0.1828618 0.1336627 -0.1505916 -3.1035263 20 N -3.0489561 0.1408245 0.1310758 -0.2372453 -3.0253377 -0.1828618 0.1336627 0.1505916 -3.1035263 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 962 Number of blocks in projector: 962 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.723 Solver_block: 200 / 320 - Time: 0.735 Solver_block: 300 / 320 - Time: 0.722 Solver_block: 320 / 320 - Time: 0.202 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.396 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 962 Number of blocks in projector: 962 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:59:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:59:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.841366150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135029660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.279833190000002 Atomic positions (fractional): 1 Ca 0.84730705852531 0.60659969087580 0.60505047614285 40.078 2 Ca 0.00000000000000 0.95514323537892 0.25000000000000 40.078 3 Ca 0.50000000000000 0.45514323537892 0.25000000000000 40.078 4 Ca 0.65269294147469 0.10659969087580 0.60505047614285 40.078 5 Ca 0.34730705852531 0.89340030912420 0.39494952385715 40.078 6 Ca 0.50000000000000 0.54485676462108 0.75000000000000 40.078 7 Ca 0.84730705852531 0.39340030912420 0.10505047614285 40.078 8 Ca 0.00000000000000 0.04485676462108 0.75000000000000 40.078 9 Ca 0.15269294147469 0.39340030912420 0.39494952385715 40.078 10 Ca 0.15269294147469 0.60659969087580 0.89494952385715 40.078 11 Ca 0.34730705852531 0.10659969087580 0.89494952385715 40.078 12 Ca 0.65269294147469 0.89340030912420 0.10505047614285 40.078 13 N 0.11205367389112 0.75272031960417 0.53180778883759 14.007 14 N 0.38794632610888 0.74727968039583 0.03180778883759 14.007 15 N 0.38794632610888 0.25272031960417 0.53180778883759 14.007 16 N 0.61205367389112 0.74727968039583 0.46819221116241 14.007 17 N 0.88794632610888 0.75272031960417 0.96819221116241 14.007 18 N 0.61205367389112 0.25272031960417 0.96819221116241 14.007 19 N 0.88794632610888 0.24727968039583 0.46819221116241 14.007 20 N 0.11205367389112 0.24727968039583 0.03180778883759 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.841366150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.270059320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.559666380000005 Atomic positions (fractional): 1 Ca 0.84730705852531 0.30329984543790 0.30252523807142 40.078 > 1 2 Ca 0.84730705852531 0.80329984543790 0.30252523807142 40.078 > 1 3 Ca 0.84730705852531 0.30329984543790 0.80252523807142 40.078 > 1 4 Ca 0.84730705852531 0.80329984543790 0.80252523807142 40.078 > 1 5 Ca 0.00000000000000 0.47757161768946 0.12500000000000 40.078 > 5 6 Ca 0.00000000000000 0.97757161768946 0.12500000000000 40.078 > 5 7 Ca 0.00000000000000 0.47757161768946 0.62500000000000 40.078 > 5 8 Ca 0.00000000000000 0.97757161768946 0.62500000000000 40.078 > 5 9 Ca 0.50000000000000 0.22757161768946 0.12500000000000 40.078 > 9 10 Ca 0.50000000000000 0.72757161768946 0.12500000000000 40.078 > 9 11 Ca 0.50000000000000 0.22757161768946 0.62500000000000 40.078 > 9 12 Ca 0.50000000000000 0.72757161768946 0.62500000000000 40.078 > 9 13 Ca 0.65269294147469 0.05329984543790 0.30252523807142 40.078 > 13 14 Ca 0.65269294147469 0.55329984543790 0.30252523807142 40.078 > 13 15 Ca 0.65269294147469 0.05329984543790 0.80252523807142 40.078 > 13 16 Ca 0.65269294147469 0.55329984543790 0.80252523807142 40.078 > 13 17 Ca 0.34730705852531 0.44670015456210 0.19747476192858 40.078 > 17 18 Ca 0.34730705852531 0.94670015456210 0.19747476192858 40.078 > 17 19 Ca 0.34730705852531 0.44670015456210 0.69747476192858 40.078 > 17 20 Ca 0.34730705852531 0.94670015456210 0.69747476192858 40.078 > 17 21 Ca 0.50000000000000 0.27242838231054 0.37500000000000 40.078 > 21 22 Ca 0.50000000000000 0.77242838231054 0.37500000000000 40.078 > 21 23 Ca 0.50000000000000 0.27242838231054 0.87500000000000 40.078 > 21 24 Ca 0.50000000000000 0.77242838231054 0.87500000000000 40.078 > 21 25 Ca 0.84730705852531 0.19670015456210 0.05252523807142 40.078 > 25 26 Ca 0.84730705852531 0.69670015456210 0.05252523807142 40.078 > 25 27 Ca 0.84730705852531 0.19670015456210 0.55252523807142 40.078 > 25 28 Ca 0.84730705852531 0.69670015456210 0.55252523807142 40.078 > 25 29 Ca 0.00000000000000 0.02242838231054 0.37500000000000 40.078 > 29 30 Ca 0.00000000000000 0.52242838231054 0.37500000000000 40.078 > 29 31 Ca 0.00000000000000 0.02242838231054 0.87500000000000 40.078 > 29 32 Ca 0.00000000000000 0.52242838231054 0.87500000000000 40.078 > 29 33 Ca 0.15269294147469 0.19670015456210 0.19747476192858 40.078 > 33 34 Ca 0.15269294147469 0.69670015456210 0.19747476192858 40.078 > 33 35 Ca 0.15269294147469 0.19670015456210 0.69747476192858 40.078 > 33 36 Ca 0.15269294147469 0.69670015456210 0.69747476192858 40.078 > 33 37 Ca 0.15269294147469 0.30329984543790 0.44747476192858 40.078 > 37 38 Ca 0.15269294147469 0.80329984543790 0.44747476192858 40.078 > 37 39 Ca 0.15269294147469 0.30329984543790 0.94747476192858 40.078 > 37 40 Ca 0.15269294147469 0.80329984543790 0.94747476192858 40.078 > 37 41 Ca 0.34730705852531 0.05329984543790 0.44747476192858 40.078 > 41 42 Ca 0.34730705852531 0.55329984543790 0.44747476192858 40.078 > 41 43 Ca 0.34730705852531 0.05329984543790 0.94747476192858 40.078 > 41 44 Ca 0.34730705852531 0.55329984543790 0.94747476192858 40.078 > 41 45 Ca 0.65269294147469 0.44670015456210 0.05252523807142 40.078 > 45 46 Ca 0.65269294147469 0.94670015456210 0.05252523807142 40.078 > 45 47 Ca 0.65269294147469 0.44670015456210 0.55252523807142 40.078 > 45 48 Ca 0.65269294147469 0.94670015456210 0.55252523807142 40.078 > 45 49 N 0.11205367389112 0.37636015980209 0.26590389441879 14.007 > 49 50 N 0.11205367389112 0.87636015980209 0.26590389441879 14.007 > 49 51 N 0.11205367389112 0.37636015980209 0.76590389441879 14.007 > 49 52 N 0.11205367389112 0.87636015980209 0.76590389441879 14.007 > 49 53 N 0.38794632610888 0.37363984019791 0.01590389441879 14.007 > 53 54 N 0.38794632610888 0.87363984019791 0.01590389441879 14.007 > 53 55 N 0.38794632610888 0.37363984019791 0.51590389441879 14.007 > 53 56 N 0.38794632610888 0.87363984019791 0.51590389441879 14.007 > 53 57 N 0.38794632610888 0.12636015980209 0.26590389441879 14.007 > 57 58 N 0.38794632610888 0.62636015980209 0.26590389441879 14.007 > 57 59 N 0.38794632610888 0.12636015980209 0.76590389441879 14.007 > 57 60 N 0.38794632610888 0.62636015980209 0.76590389441879 14.007 > 57 61 N 0.61205367389112 0.37363984019791 0.23409610558121 14.007 > 61 62 N 0.61205367389112 0.87363984019791 0.23409610558121 14.007 > 61 63 N 0.61205367389112 0.37363984019791 0.73409610558121 14.007 > 61 64 N 0.61205367389112 0.87363984019791 0.73409610558121 14.007 > 61 65 N 0.88794632610888 0.37636015980209 0.48409610558121 14.007 > 65 66 N 0.88794632610888 0.87636015980209 0.48409610558121 14.007 > 65 67 N 0.88794632610888 0.37636015980209 0.98409610558121 14.007 > 65 68 N 0.88794632610888 0.87636015980209 0.98409610558121 14.007 > 65 69 N 0.61205367389112 0.12636015980209 0.48409610558121 14.007 > 69 70 N 0.61205367389112 0.62636015980209 0.48409610558121 14.007 > 69 71 N 0.61205367389112 0.12636015980209 0.98409610558121 14.007 > 69 72 N 0.61205367389112 0.62636015980209 0.98409610558121 14.007 > 69 73 N 0.88794632610888 0.12363984019791 0.23409610558121 14.007 > 73 74 N 0.88794632610888 0.62363984019791 0.23409610558121 14.007 > 73 75 N 0.88794632610888 0.12363984019791 0.73409610558121 14.007 > 73 76 N 0.88794632610888 0.62363984019791 0.73409610558121 14.007 > 73 77 N 0.11205367389112 0.12363984019791 0.01590389441879 14.007 > 77 78 N 0.11205367389112 0.62363984019791 0.01590389441879 14.007 > 77 79 N 0.11205367389112 0.12363984019791 0.51590389441879 14.007 > 77 80 N 0.11205367389112 0.62363984019791 0.51590389441879 14.007 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6796701 0.0000000 0.0000000 0.0000000 6.5307767 0.0000000 0.0000000 0.0000000 6.8628155 -------------------------- Born effective charges -------------------------- 1 Ca 2.1446905 0.1747840 0.0232523 0.1143594 2.0069998 0.0900518 -0.0984162 0.0916924 1.9892536 2 Ca 1.8085312 0.0000000 0.0176203 0.0000000 2.0366759 -0.0000000 -0.1838731 0.0000000 2.2285454 3 Ca 1.8085312 0.0000000 -0.0176203 0.0000000 2.0366759 -0.0000000 0.1838731 0.0000000 2.2285454 4 Ca 2.1446905 -0.1747840 -0.0232523 -0.1143594 2.0069998 0.0900518 0.0984162 0.0916924 1.9892536 5 Ca 2.1446905 -0.1747840 -0.0232523 -0.1143594 2.0069998 0.0900518 0.0984162 0.0916924 1.9892536 6 Ca 1.8085312 0.0000000 -0.0176203 0.0000000 2.0366759 -0.0000000 0.1838731 0.0000000 2.2285454 7 Ca 2.1446905 -0.1747840 0.0232523 -0.1143594 2.0069998 -0.0900518 -0.0984162 -0.0916924 1.9892536 8 Ca 1.8085312 0.0000000 0.0176203 0.0000000 2.0366759 -0.0000000 -0.1838731 0.0000000 2.2285454 9 Ca 2.1446905 0.1747840 0.0232523 0.1143594 2.0069998 0.0900518 -0.0984162 0.0916924 1.9892536 10 Ca 2.1446905 -0.1747840 0.0232523 -0.1143594 2.0069998 -0.0900518 -0.0984162 -0.0916924 1.9892536 11 Ca 2.1446905 0.1747840 -0.0232523 0.1143594 2.0069998 -0.0900518 0.0984162 -0.0916924 1.9892536 12 Ca 2.1446905 0.1747840 -0.0232523 0.1143594 2.0069998 -0.0900518 0.0984162 -0.0916924 1.9892536 13 N -3.0489561 -0.1408245 0.1310758 0.2372453 -3.0253377 0.1828618 0.1336627 -0.1505916 -3.1035263 14 N -3.0489561 -0.1408245 -0.1310758 0.2372453 -3.0253377 -0.1828618 -0.1336627 0.1505916 -3.1035263 15 N -3.0489561 0.1408245 -0.1310758 -0.2372453 -3.0253377 0.1828618 -0.1336627 -0.1505916 -3.1035263 16 N -3.0489561 0.1408245 -0.1310758 -0.2372453 -3.0253377 0.1828618 -0.1336627 -0.1505916 -3.1035263 17 N -3.0489561 0.1408245 0.1310758 -0.2372453 -3.0253377 -0.1828618 0.1336627 0.1505916 -3.1035263 18 N -3.0489561 -0.1408245 -0.1310758 0.2372453 -3.0253377 -0.1828618 -0.1336627 0.1505916 -3.1035263 19 N -3.0489561 -0.1408245 0.1310758 0.2372453 -3.0253377 0.1828618 0.1336627 -0.1505916 -3.1035263 20 N -3.0489561 0.1408245 0.1310758 -0.2372453 -3.0253377 -0.1828618 0.1336627 0.1505916 -3.1035263 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zxz) -0.00000001 (zxz) -0.00000001 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:59:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:59:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.841366150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 6.135029660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.279833190000002 Atomic positions (fractional): 1 Ca 0.84730705852531 0.60659969087580 0.60505047614285 40.078 2 Ca 0.00000000000000 0.95514323537892 0.25000000000000 40.078 3 Ca 0.50000000000000 0.45514323537892 0.25000000000000 40.078 4 Ca 0.65269294147469 0.10659969087580 0.60505047614285 40.078 5 Ca 0.34730705852531 0.89340030912420 0.39494952385715 40.078 6 Ca 0.50000000000000 0.54485676462108 0.75000000000000 40.078 7 Ca 0.84730705852531 0.39340030912420 0.10505047614285 40.078 8 Ca 0.00000000000000 0.04485676462108 0.75000000000000 40.078 9 Ca 0.15269294147469 0.39340030912420 0.39494952385715 40.078 10 Ca 0.15269294147469 0.60659969087580 0.89494952385715 40.078 11 Ca 0.34730705852531 0.10659969087580 0.89494952385715 40.078 12 Ca 0.65269294147469 0.89340030912420 0.10505047614285 40.078 13 N 0.11205367389112 0.75272031960417 0.53180778883759 14.007 14 N 0.38794632610888 0.74727968039583 0.03180778883759 14.007 15 N 0.38794632610888 0.25272031960417 0.53180778883759 14.007 16 N 0.61205367389112 0.74727968039583 0.46819221116241 14.007 17 N 0.88794632610888 0.75272031960417 0.96819221116241 14.007 18 N 0.61205367389112 0.25272031960417 0.96819221116241 14.007 19 N 0.88794632610888 0.24727968039583 0.46819221116241 14.007 20 N 0.11205367389112 0.24727968039583 0.03180778883759 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.841366150000002 0.000000000000000 0.000000000000000 b 0.000000000000000 12.270059320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.559666380000005 Atomic positions (fractional): 1 Ca 0.84730705852531 0.30329984543790 0.30252523807142 40.078 > 1 2 Ca 0.84730705852531 0.80329984543790 0.30252523807142 40.078 > 1 3 Ca 0.84730705852531 0.30329984543790 0.80252523807142 40.078 > 1 4 Ca 0.84730705852531 0.80329984543790 0.80252523807142 40.078 > 1 5 Ca 0.00000000000000 0.47757161768946 0.12500000000000 40.078 > 5 6 Ca 0.00000000000000 0.97757161768946 0.12500000000000 40.078 > 5 7 Ca 0.00000000000000 0.47757161768946 0.62500000000000 40.078 > 5 8 Ca 0.00000000000000 0.97757161768946 0.62500000000000 40.078 > 5 9 Ca 0.50000000000000 0.22757161768946 0.12500000000000 40.078 > 9 10 Ca 0.50000000000000 0.72757161768946 0.12500000000000 40.078 > 9 11 Ca 0.50000000000000 0.22757161768946 0.62500000000000 40.078 > 9 12 Ca 0.50000000000000 0.72757161768946 0.62500000000000 40.078 > 9 13 Ca 0.65269294147469 0.05329984543790 0.30252523807142 40.078 > 13 14 Ca 0.65269294147469 0.55329984543790 0.30252523807142 40.078 > 13 15 Ca 0.65269294147469 0.05329984543790 0.80252523807142 40.078 > 13 16 Ca 0.65269294147469 0.55329984543790 0.80252523807142 40.078 > 13 17 Ca 0.34730705852531 0.44670015456210 0.19747476192858 40.078 > 17 18 Ca 0.34730705852531 0.94670015456210 0.19747476192858 40.078 > 17 19 Ca 0.34730705852531 0.44670015456210 0.69747476192858 40.078 > 17 20 Ca 0.34730705852531 0.94670015456210 0.69747476192858 40.078 > 17 21 Ca 0.50000000000000 0.27242838231054 0.37500000000000 40.078 > 21 22 Ca 0.50000000000000 0.77242838231054 0.37500000000000 40.078 > 21 23 Ca 0.50000000000000 0.27242838231054 0.87500000000000 40.078 > 21 24 Ca 0.50000000000000 0.77242838231054 0.87500000000000 40.078 > 21 25 Ca 0.84730705852531 0.19670015456210 0.05252523807142 40.078 > 25 26 Ca 0.84730705852531 0.69670015456210 0.05252523807142 40.078 > 25 27 Ca 0.84730705852531 0.19670015456210 0.55252523807142 40.078 > 25 28 Ca 0.84730705852531 0.69670015456210 0.55252523807142 40.078 > 25 29 Ca 0.00000000000000 0.02242838231054 0.37500000000000 40.078 > 29 30 Ca 0.00000000000000 0.52242838231054 0.37500000000000 40.078 > 29 31 Ca 0.00000000000000 0.02242838231054 0.87500000000000 40.078 > 29 32 Ca 0.00000000000000 0.52242838231054 0.87500000000000 40.078 > 29 33 Ca 0.15269294147469 0.19670015456210 0.19747476192858 40.078 > 33 34 Ca 0.15269294147469 0.69670015456210 0.19747476192858 40.078 > 33 35 Ca 0.15269294147469 0.19670015456210 0.69747476192858 40.078 > 33 36 Ca 0.15269294147469 0.69670015456210 0.69747476192858 40.078 > 33 37 Ca 0.15269294147469 0.30329984543790 0.44747476192858 40.078 > 37 38 Ca 0.15269294147469 0.80329984543790 0.44747476192858 40.078 > 37 39 Ca 0.15269294147469 0.30329984543790 0.94747476192858 40.078 > 37 40 Ca 0.15269294147469 0.80329984543790 0.94747476192858 40.078 > 37 41 Ca 0.34730705852531 0.05329984543790 0.44747476192858 40.078 > 41 42 Ca 0.34730705852531 0.55329984543790 0.44747476192858 40.078 > 41 43 Ca 0.34730705852531 0.05329984543790 0.94747476192858 40.078 > 41 44 Ca 0.34730705852531 0.55329984543790 0.94747476192858 40.078 > 41 45 Ca 0.65269294147469 0.44670015456210 0.05252523807142 40.078 > 45 46 Ca 0.65269294147469 0.94670015456210 0.05252523807142 40.078 > 45 47 Ca 0.65269294147469 0.44670015456210 0.55252523807142 40.078 > 45 48 Ca 0.65269294147469 0.94670015456210 0.55252523807142 40.078 > 45 49 N 0.11205367389112 0.37636015980209 0.26590389441879 14.007 > 49 50 N 0.11205367389112 0.87636015980209 0.26590389441879 14.007 > 49 51 N 0.11205367389112 0.37636015980209 0.76590389441879 14.007 > 49 52 N 0.11205367389112 0.87636015980209 0.76590389441879 14.007 > 49 53 N 0.38794632610888 0.37363984019791 0.01590389441879 14.007 > 53 54 N 0.38794632610888 0.87363984019791 0.01590389441879 14.007 > 53 55 N 0.38794632610888 0.37363984019791 0.51590389441879 14.007 > 53 56 N 0.38794632610888 0.87363984019791 0.51590389441879 14.007 > 53 57 N 0.38794632610888 0.12636015980209 0.26590389441879 14.007 > 57 58 N 0.38794632610888 0.62636015980209 0.26590389441879 14.007 > 57 59 N 0.38794632610888 0.12636015980209 0.76590389441879 14.007 > 57 60 N 0.38794632610888 0.62636015980209 0.76590389441879 14.007 > 57 61 N 0.61205367389112 0.37363984019791 0.23409610558121 14.007 > 61 62 N 0.61205367389112 0.87363984019791 0.23409610558121 14.007 > 61 63 N 0.61205367389112 0.37363984019791 0.73409610558121 14.007 > 61 64 N 0.61205367389112 0.87363984019791 0.73409610558121 14.007 > 61 65 N 0.88794632610888 0.37636015980209 0.48409610558121 14.007 > 65 66 N 0.88794632610888 0.87636015980209 0.48409610558121 14.007 > 65 67 N 0.88794632610888 0.37636015980209 0.98409610558121 14.007 > 65 68 N 0.88794632610888 0.87636015980209 0.98409610558121 14.007 > 65 69 N 0.61205367389112 0.12636015980209 0.48409610558121 14.007 > 69 70 N 0.61205367389112 0.62636015980209 0.48409610558121 14.007 > 69 71 N 0.61205367389112 0.12636015980209 0.98409610558121 14.007 > 69 72 N 0.61205367389112 0.62636015980209 0.98409610558121 14.007 > 69 73 N 0.88794632610888 0.12363984019791 0.23409610558121 14.007 > 73 74 N 0.88794632610888 0.62363984019791 0.23409610558121 14.007 > 73 75 N 0.88794632610888 0.12363984019791 0.73409610558121 14.007 > 73 76 N 0.88794632610888 0.62363984019791 0.73409610558121 14.007 > 73 77 N 0.11205367389112 0.12363984019791 0.01590389441879 14.007 > 77 78 N 0.11205367389112 0.62363984019791 0.01590389441879 14.007 > 77 79 N 0.11205367389112 0.12363984019791 0.51590389441879 14.007 > 77 80 N 0.11205367389112 0.62363984019791 0.51590389441879 14.007 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.6796701 0.0000000 0.0000000 0.0000000 6.5307767 0.0000000 0.0000000 0.0000000 6.8628155 -------------------------- Born effective charges -------------------------- 1 Ca 2.1446905 0.1747840 0.0232523 0.1143594 2.0069998 0.0900518 -0.0984162 0.0916924 1.9892536 2 Ca 1.8085312 0.0000000 0.0176203 0.0000000 2.0366759 -0.0000000 -0.1838731 0.0000000 2.2285454 3 Ca 1.8085312 0.0000000 -0.0176203 0.0000000 2.0366759 -0.0000000 0.1838731 0.0000000 2.2285454 4 Ca 2.1446905 -0.1747840 -0.0232523 -0.1143594 2.0069998 0.0900518 0.0984162 0.0916924 1.9892536 5 Ca 2.1446905 -0.1747840 -0.0232523 -0.1143594 2.0069998 0.0900518 0.0984162 0.0916924 1.9892536 6 Ca 1.8085312 0.0000000 -0.0176203 0.0000000 2.0366759 -0.0000000 0.1838731 0.0000000 2.2285454 7 Ca 2.1446905 -0.1747840 0.0232523 -0.1143594 2.0069998 -0.0900518 -0.0984162 -0.0916924 1.9892536 8 Ca 1.8085312 0.0000000 0.0176203 0.0000000 2.0366759 -0.0000000 -0.1838731 0.0000000 2.2285454 9 Ca 2.1446905 0.1747840 0.0232523 0.1143594 2.0069998 0.0900518 -0.0984162 0.0916924 1.9892536 10 Ca 2.1446905 -0.1747840 0.0232523 -0.1143594 2.0069998 -0.0900518 -0.0984162 -0.0916924 1.9892536 11 Ca 2.1446905 0.1747840 -0.0232523 0.1143594 2.0069998 -0.0900518 0.0984162 -0.0916924 1.9892536 12 Ca 2.1446905 0.1747840 -0.0232523 0.1143594 2.0069998 -0.0900518 0.0984162 -0.0916924 1.9892536 13 N -3.0489561 -0.1408245 0.1310758 0.2372453 -3.0253377 0.1828618 0.1336627 -0.1505916 -3.1035263 14 N -3.0489561 -0.1408245 -0.1310758 0.2372453 -3.0253377 -0.1828618 -0.1336627 0.1505916 -3.1035263 15 N -3.0489561 0.1408245 -0.1310758 -0.2372453 -3.0253377 0.1828618 -0.1336627 -0.1505916 -3.1035263 16 N -3.0489561 0.1408245 -0.1310758 -0.2372453 -3.0253377 0.1828618 -0.1336627 -0.1505916 -3.1035263 17 N -3.0489561 0.1408245 0.1310758 -0.2372453 -3.0253377 -0.1828618 0.1336627 0.1505916 -3.1035263 18 N -3.0489561 -0.1408245 -0.1310758 0.2372453 -3.0253377 -0.1828618 -0.1336627 0.1505916 -3.1035263 19 N -3.0489561 -0.1408245 0.1310758 0.2372453 -3.0253377 0.1828618 0.1336627 -0.1505916 -3.1035263 20 N -3.0489561 0.1408245 0.1310758 -0.2372453 -3.0253377 -0.1828618 0.1336627 0.1505916 -3.1035263 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zxz) -0.00000001 (zxz) -0.00000001 (zzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 315, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.311 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.761 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.621 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 11.056 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 0.000 0.000) 0.000 12.395 ( 0.000 0.000 0.000) 0.000 12.682 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.698 ( 0.000 0.000 0.000) 0.000 14.033 ( 0.000 0.000 0.000) 0.000 14.176 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 37.597 0.000 0.000) 37.597 0.802 ( 42.347 0.000 0.000) 42.347 1.246 ( 65.018 0.000 0.000) 65.018 2.815 ( -12.898 0.000 0.000) 12.898 3.554 ( -5.674 0.000 0.000) 5.674 3.576 ( -25.231 0.000 0.000) 25.231 3.631 ( 12.377 0.000 0.000) 12.377 3.951 ( 1.741 0.000 0.000) 1.741 4.243 ( -20.111 0.000 0.000) 20.111 4.254 ( -1.092 0.000 0.000) 1.092 4.454 ( 3.563 0.000 0.000) 3.563 4.807 ( 8.802 0.000 0.000) 8.802 5.082 ( -4.598 0.000 0.000) 4.598 5.418 ( -0.039 0.000 0.000) 0.039 5.511 ( 5.329 0.000 0.000) 5.329 5.613 ( 9.291 0.000 0.000) 9.291 5.672 ( 21.185 0.000 0.000) 21.185 5.695 ( -10.689 0.000 0.000) 10.689 5.766 ( 15.241 0.000 0.000) 15.241 5.834 ( -26.887 0.000 0.000) 26.887 6.067 ( -21.061 0.000 0.000) 21.061 6.179 ( 8.293 0.000 0.000) 8.293 6.238 ( 1.778 0.000 0.000) 1.778 6.984 ( 3.033 0.000 0.000) 3.033 7.130 ( 27.036 0.000 0.000) 27.036 7.170 ( 4.650 0.000 0.000) 4.650 7.649 ( -8.977 0.000 0.000) 8.977 7.912 ( -9.146 0.000 0.000) 9.146 7.998 ( -6.770 0.000 0.000) 6.770 8.016 ( -5.940 0.000 0.000) 5.940 8.149 ( -2.602 0.000 0.000) 2.602 8.302 ( -2.092 0.000 0.000) 2.092 8.513 ( 4.093 0.000 0.000) 4.093 8.659 ( 0.986 0.000 0.000) 0.986 8.885 ( 4.639 0.000 0.000) 4.639 8.964 ( 1.813 0.000 0.000) 1.813 9.294 ( 1.897 0.000 0.000) 1.897 9.318 ( -1.707 0.000 0.000) 1.707 9.517 ( 1.900 0.000 0.000) 1.900 9.653 ( 7.381 0.000 0.000) 7.381 9.687 ( -3.946 0.000 0.000) 3.946 9.790 ( 2.965 0.000 0.000) 2.965 10.110 ( 2.263 0.000 0.000) 2.263 10.235 ( -4.651 0.000 0.000) 4.651 10.302 ( -1.005 0.000 0.000) 1.005 10.371 ( -1.307 0.000 0.000) 1.307 10.496 ( 2.269 0.000 0.000) 2.269 10.581 ( -5.172 0.000 0.000) 5.172 10.644 ( -7.042 0.000 0.000) 7.042 10.782 ( -3.493 0.000 0.000) 3.493 10.953 ( -6.708 0.000 0.000) 6.708 11.225 ( -5.749 0.000 0.000) 5.749 11.338 ( 15.179 0.000 0.000) 15.179 12.596 ( 18.838 0.000 0.000) 18.838 12.802 ( 11.920 0.000 0.000) 11.920 13.205 ( -22.984 0.000 0.000) 22.984 13.872 ( 2.717 0.000 0.000) 2.717 14.013 ( 2.970 0.000 0.000) 2.970 14.086 ( -9.338 0.000 0.000) 9.338 14.451 ( -1.624 0.000 0.000) 1.624 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 33.775 0.000 0.000) 33.775 1.592 ( 41.238 0.000 0.000) 41.238 2.426 ( 55.691 0.000 0.000) 55.691 2.480 ( -18.300 0.000 0.000) 18.300 3.027 ( -32.904 0.000 0.000) 32.904 3.468 ( -1.855 0.000 0.000) 1.855 3.802 ( -20.790 0.000 0.000) 20.790 3.841 ( 1.896 0.000 0.000) 1.896 4.064 ( 12.147 0.000 0.000) 12.147 4.216 ( -2.892 0.000 0.000) 2.892 4.448 ( -6.189 0.000 0.000) 6.189 4.924 ( -12.898 0.000 0.000) 12.898 5.110 ( 18.078 0.000 0.000) 18.078 5.244 ( -17.531 0.000 0.000) 17.531 5.402 ( -4.011 0.000 0.000) 4.011 5.610 ( 0.802 0.000 0.000) 0.802 5.640 ( -4.838 0.000 0.000) 4.838 5.660 ( -16.920 0.000 0.000) 16.920 5.686 ( 0.171 0.000 0.000) 0.171 5.788 ( 1.861 0.000 0.000) 1.861 6.286 ( 27.024 0.000 0.000) 27.024 6.422 ( 15.318 0.000 0.000) 15.318 6.426 ( 17.572 0.000 0.000) 17.572 6.945 ( -7.724 0.000 0.000) 7.724 7.289 ( 6.650 0.000 0.000) 6.650 7.418 ( -14.253 0.000 0.000) 14.253 7.595 ( 22.035 0.000 0.000) 22.035 7.664 ( -15.060 0.000 0.000) 15.060 7.825 ( -11.198 0.000 0.000) 11.198 7.951 ( -0.262 0.000 0.000) 0.262 8.082 ( -4.336 0.000 0.000) 4.336 8.199 ( -9.059 0.000 0.000) 9.059 8.601 ( 4.692 0.000 0.000) 4.692 8.681 ( 0.801 0.000 0.000) 0.801 9.003 ( 7.305 0.000 0.000) 7.305 9.015 ( 3.661 0.000 0.000) 3.661 9.226 ( -6.698 0.000 0.000) 6.698 9.269 ( -4.996 0.000 0.000) 4.996 9.596 ( 6.966 0.000 0.000) 6.966 9.710 ( 6.739 0.000 0.000) 6.739 9.856 ( 12.303 0.000 0.000) 12.303 9.859 ( 3.493 0.000 0.000) 3.493 10.004 ( -10.852 0.000 0.000) 10.852 10.216 ( 0.077 0.000 0.000) 0.077 10.231 ( -6.412 0.000 0.000) 6.412 10.376 ( 1.800 0.000 0.000) 1.800 10.400 ( -12.440 0.000 0.000) 12.440 10.517 ( -5.863 0.000 0.000) 5.863 10.553 ( 3.821 0.000 0.000) 3.821 10.701 ( -3.850 0.000 0.000) 3.850 10.906 ( 0.906 0.000 0.000) 0.906 11.091 ( -7.695 0.000 0.000) 7.695 11.711 ( 23.722 0.000 0.000) 23.722 12.728 ( -27.084 0.000 0.000) 27.084 13.014 ( 23.869 0.000 0.000) 23.869 13.090 ( 17.575 0.000 0.000) 17.575 13.724 ( -13.283 0.000 0.000) 13.283 13.833 ( -17.160 0.000 0.000) 17.160 14.171 ( 8.950 0.000 0.000) 8.950 14.402 ( -3.562 0.000 0.000) 3.562 ======================= Grid point 3 (4/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -28.722 0.000 0.000) 28.722 1.993 ( 28.722 0.000 0.000) 28.722 2.348 ( -38.602 0.000 0.000) 38.602 2.348 ( 38.602 0.000 0.000) 38.602 3.439 ( -44.075 0.000 0.000) 44.075 3.439 ( 44.075 0.000 0.000) 44.075 3.524 ( -8.501 0.000 0.000) 8.501 3.524 ( 8.501 0.000 0.000) 8.501 4.162 ( -1.818 0.000 0.000) 1.818 4.162 ( 1.818 0.000 0.000) 1.818 4.592 ( -20.271 0.000 0.000) 20.271 4.592 ( 20.271 0.000 0.000) 20.271 5.214 ( -9.503 0.000 0.000) 9.503 5.214 ( 9.503 0.000 0.000) 9.503 5.428 ( -14.942 0.000 0.000) 14.942 5.428 ( 14.942 0.000 0.000) 14.942 5.568 ( -2.240 0.000 0.000) 2.240 5.568 ( 2.240 0.000 0.000) 2.240 5.766 ( -4.022 0.000 0.000) 4.022 5.766 ( 4.022 0.000 0.000) 4.022 6.642 ( -4.593 0.000 0.000) 4.593 6.642 ( 4.593 0.000 0.000) 4.593 6.718 ( -15.109 0.000 0.000) 15.109 6.718 ( 15.109 0.000 0.000) 15.109 7.261 ( -3.884 0.000 0.000) 3.884 7.261 ( 3.884 0.000 0.000) 3.884 7.608 ( -9.857 0.000 0.000) 9.857 7.608 ( 9.857 0.000 0.000) 9.857 7.952 ( -13.725 0.000 0.000) 13.725 7.952 ( 13.725 0.000 0.000) 13.725 8.003 ( -1.685 0.000 0.000) 1.685 8.003 ( 1.685 0.000 0.000) 1.685 8.670 ( -2.239 0.000 0.000) 2.239 8.670 ( 2.239 0.000 0.000) 2.239 9.104 ( -5.763 0.000 0.000) 5.763 9.104 ( 5.763 0.000 0.000) 5.763 9.144 ( -7.426 0.000 0.000) 7.426 9.144 ( 7.426 0.000 0.000) 7.426 9.779 ( -11.709 0.000 0.000) 11.709 9.779 ( 11.709 0.000 0.000) 11.709 9.857 ( -5.342 0.000 0.000) 5.342 9.857 ( 5.342 0.000 0.000) 5.342 10.073 ( -10.191 0.000 0.000) 10.191 10.073 ( 10.191 0.000 0.000) 10.191 10.227 ( -3.615 0.000 0.000) 3.615 10.227 ( 3.615 0.000 0.000) 3.615 10.428 ( -3.687 0.000 0.000) 3.687 10.428 ( 3.687 0.000 0.000) 3.687 10.630 ( -3.979 0.000 0.000) 3.979 10.630 ( 3.979 0.000 0.000) 3.979 10.964 ( -5.152 0.000 0.000) 5.152 10.964 ( 5.152 0.000 0.000) 5.152 12.205 ( -27.765 0.000 0.000) 27.765 12.205 ( 27.765 0.000 0.000) 27.765 13.428 ( -17.476 0.000 0.000) 17.476 13.428 ( 17.476 0.000 0.000) 17.476 13.456 ( -22.334 0.000 0.000) 22.334 13.456 ( 22.334 0.000 0.000) 22.334 14.313 ( -6.052 0.000 0.000) 6.052 14.313 ( 6.052 0.000 0.000) 6.052 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 33.707 0.000) 33.707 0.794 ( 0.000 38.279 0.000) 38.279 1.450 ( 0.000 70.415 0.000) 70.415 2.740 ( 0.000 8.796 0.000) 8.796 3.448 ( 0.000 -5.745 0.000) 5.745 3.611 ( 0.000 -21.895 0.000) 21.895 3.621 ( 0.000 -0.225 0.000) 0.225 3.848 ( 0.000 -3.607 0.000) 3.607 4.266 ( 0.000 0.326 0.000) 0.326 4.426 ( 0.000 1.868 0.000) 1.868 4.506 ( 0.000 12.302 0.000) 12.302 4.834 ( 0.000 -19.898 0.000) 19.898 4.966 ( 0.000 -10.321 0.000) 10.321 5.082 ( 0.000 -0.554 0.000) 0.554 5.294 ( 0.000 -6.962 0.000) 6.962 5.493 ( 0.000 -13.040 0.000) 13.040 5.615 ( 0.000 1.177 0.000) 1.177 5.741 ( 0.000 12.260 0.000) 12.260 5.885 ( 0.000 -9.841 0.000) 9.841 5.931 ( 0.000 8.068 0.000) 8.068 6.043 ( 0.000 -8.021 0.000) 8.021 6.407 ( 0.000 8.680 0.000) 8.680 6.581 ( 0.000 15.531 0.000) 15.531 6.779 ( 0.000 -12.324 0.000) 12.324 6.848 ( 0.000 15.123 0.000) 15.123 7.265 ( 0.000 11.154 0.000) 11.154 7.705 ( 0.000 -30.689 0.000) 30.689 7.708 ( 0.000 -11.754 0.000) 11.754 7.970 ( 0.000 -1.081 0.000) 1.081 7.998 ( 0.000 0.012 0.000) 0.012 7.999 ( 0.000 -15.460 0.000) 15.460 8.003 ( 0.000 -2.594 0.000) 2.594 8.503 ( 0.000 0.479 0.000) 0.479 8.581 ( 0.000 -3.750 0.000) 3.750 8.658 ( 0.000 -5.044 0.000) 5.044 8.792 ( 0.000 -8.666 0.000) 8.666 9.097 ( 0.000 10.867 0.000) 10.867 9.218 ( 0.000 -7.425 0.000) 7.425 9.254 ( 0.000 -1.180 0.000) 1.180 9.331 ( 0.000 -11.795 0.000) 11.795 9.713 ( 0.000 -4.588 0.000) 4.588 9.772 ( 0.000 0.154 0.000) 0.154 9.933 ( 0.000 5.151 0.000) 5.151 10.150 ( 0.000 -0.318 0.000) 0.318 10.294 ( 0.000 -1.252 0.000) 1.252 10.417 ( 0.000 -1.832 0.000) 1.832 10.464 ( 0.000 10.974 0.000) 10.974 10.620 ( 0.000 -0.074 0.000) 0.074 10.764 ( 0.000 3.508 0.000) 3.508 10.841 ( 0.000 6.459 0.000) 6.459 10.995 ( 0.000 -4.647 0.000) 4.647 11.294 ( 0.000 0.864 0.000) 0.864 11.636 ( 0.000 13.123 0.000) 13.123 12.282 ( 0.000 -9.347 0.000) 9.347 12.706 ( 0.000 1.637 0.000) 1.637 13.640 ( 0.000 9.626 0.000) 9.626 13.677 ( 0.000 -2.413 0.000) 2.413 14.145 ( 0.000 -2.316 0.000) 2.316 14.176 ( 0.000 12.917 0.000) 12.917 15.343 ( 0.000 0.197 0.000) 0.197 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 27.449 23.456 0.000) 36.106 1.011 ( 24.378 26.421 0.000) 35.950 1.961 ( 44.357 52.440 0.000) 68.684 2.792 ( -3.756 3.050 0.000) 4.839 3.394 ( -20.542 -14.909 0.000) 25.383 3.528 ( 6.850 -8.098 0.000) 10.607 3.556 ( -5.925 0.051 0.000) 5.925 3.837 ( -0.991 -9.336 0.000) 9.388 4.213 ( -3.152 -2.032 0.000) 3.750 4.333 ( -15.481 7.820 0.000) 17.344 4.472 ( 3.538 1.328 0.000) 3.779 4.817 ( -1.852 -20.812 0.000) 20.895 4.905 ( 11.519 5.640 0.000) 12.825 5.291 ( 0.993 -3.498 0.000) 3.636 5.485 ( -0.572 -12.887 0.000) 12.900 5.522 ( 22.303 -10.448 0.000) 24.629 5.617 ( -3.417 -6.447 0.000) 7.296 5.753 ( 1.523 12.001 0.000) 12.097 5.906 ( 2.913 3.058 0.000) 4.223 5.974 ( -13.487 8.528 0.000) 15.957 6.032 ( -1.183 1.043 0.000) 1.577 6.107 ( -9.086 1.320 0.000) 9.181 6.308 ( -7.788 5.060 0.000) 9.288 6.834 ( 3.397 -12.728 0.000) 13.174 7.254 ( 14.355 9.157 0.000) 17.027 7.335 ( 14.289 13.673 0.000) 19.777 7.447 ( -13.678 -24.517 0.000) 28.074 7.730 ( -3.931 -21.306 0.000) 21.665 7.907 ( -8.569 -1.557 0.000) 8.710 7.939 ( 3.757 0.226 0.000) 3.764 7.996 ( -1.076 -11.876 0.000) 11.925 8.338 ( 7.289 -0.428 0.000) 7.301 8.458 ( -3.155 -2.719 0.000) 4.165 8.582 ( 0.427 -6.142 0.000) 6.157 8.845 ( 5.329 -6.234 0.000) 8.202 8.908 ( 13.331 -22.678 0.000) 26.306 9.086 ( -0.998 7.512 0.000) 7.578 9.241 ( 1.494 -5.310 0.000) 5.516 9.375 ( 4.797 -8.230 0.000) 9.527 9.396 ( 15.003 -11.179 0.000) 18.709 9.736 ( 2.274 -4.879 0.000) 5.383 9.876 ( 2.987 -5.051 0.000) 5.868 9.890 ( 3.427 6.377 0.000) 7.240 10.186 ( 2.745 -0.362 0.000) 2.769 10.294 ( -0.064 -1.782 0.000) 1.783 10.402 ( -1.642 -0.577 0.000) 1.740 10.408 ( -5.495 10.419 0.000) 11.779 10.576 ( -5.812 -0.502 0.000) 5.833 10.797 ( 2.060 3.823 0.000) 4.342 10.811 ( -4.014 4.174 0.000) 5.791 10.896 ( -5.597 -2.246 0.000) 6.031 11.262 ( -5.437 3.761 0.000) 6.611 11.593 ( 1.362 11.805 0.000) 11.883 12.484 ( 18.706 -9.367 0.000) 20.920 12.844 ( 13.155 2.989 0.000) 13.490 13.258 ( -23.386 3.677 0.000) 23.673 13.968 ( 12.853 6.149 0.000) 14.248 14.064 ( -8.627 -1.838 0.000) 8.821 14.113 ( -5.585 11.084 0.000) 12.411 14.953 ( -24.577 20.644 0.000) 32.097 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 30.307 15.389 0.000) 33.991 1.598 ( 34.915 7.856 0.000) 35.788 2.555 ( -19.055 7.889 0.000) 20.624 2.885 ( 49.512 36.493 0.000) 61.508 2.901 ( -30.656 -8.452 0.000) 31.800 3.457 ( -2.702 -0.761 0.000) 2.807 3.562 ( -6.317 -12.742 0.000) 14.222 3.850 ( 3.533 -6.492 0.000) 7.392 4.161 ( -2.584 -4.397 0.000) 5.100 4.216 ( 4.879 10.559 0.000) 11.631 4.514 ( -2.185 2.877 0.000) 3.612 4.755 ( -5.740 -16.557 0.000) 17.524 5.156 ( 0.866 7.876 0.000) 7.923 5.244 ( -9.811 -6.246 0.000) 11.630 5.332 ( -12.562 5.940 0.000) 13.896 5.453 ( -7.109 -11.205 0.000) 13.270 5.459 ( -2.176 -10.959 0.000) 11.173 5.799 ( 1.204 9.384 0.000) 9.461 5.873 ( 3.532 0.860 0.000) 3.635 5.884 ( -12.018 9.873 0.000) 15.554 6.122 ( 18.591 -9.805 0.000) 21.018 6.338 ( 18.275 -7.540 0.000) 19.770 6.409 ( 14.909 -1.946 0.000) 15.036 6.811 ( -6.181 -11.526 0.000) 13.078 7.185 ( -12.814 -20.536 0.000) 24.205 7.358 ( 1.399 2.769 0.000) 3.103 7.552 ( -6.553 -2.825 0.000) 7.136 7.643 ( -4.634 -15.921 0.000) 16.581 7.841 ( 12.262 13.415 0.000) 18.175 7.970 ( -1.441 -8.135 0.000) 8.261 7.978 ( -0.538 3.264 0.000) 3.308 8.316 ( -7.357 8.498 0.000) 11.240 8.473 ( 4.618 -12.285 0.000) 13.125 8.593 ( 0.083 -9.259 0.000) 9.260 8.975 ( 7.840 -2.449 0.000) 8.214 9.021 ( 2.125 -11.173 0.000) 11.373 9.066 ( -0.770 0.761 0.000) 1.083 9.241 ( -2.640 -7.045 0.000) 7.523 9.515 ( 9.892 -2.983 0.000) 10.332 9.629 ( 7.665 -12.754 0.000) 14.880 9.787 ( 2.677 -5.681 0.000) 6.281 9.896 ( 5.357 10.364 0.000) 11.667 9.984 ( -1.638 -7.710 0.000) 7.882 10.249 ( 3.309 2.344 0.000) 4.055 10.283 ( -2.188 -3.961 0.000) 4.526 10.304 ( -2.693 2.954 0.000) 3.998 10.320 ( -9.409 3.489 0.000) 10.035 10.416 ( -5.789 -1.635 0.000) 6.016 10.754 ( -0.286 3.972 0.000) 3.983 10.807 ( -0.824 7.782 0.000) 7.826 10.853 ( -0.364 -0.590 0.000) 0.693 11.070 ( -12.078 1.274 0.000) 12.145 11.816 ( 20.232 7.185 0.000) 21.469 12.782 ( -26.139 4.160 0.000) 26.468 12.893 ( 22.126 -9.882 0.000) 24.232 13.133 ( 15.484 2.399 0.000) 15.669 13.835 ( -14.382 0.989 0.000) 14.416 13.900 ( -12.294 14.557 0.000) 19.054 14.229 ( 10.977 4.997 0.000) 12.061 14.619 ( -12.432 15.568 0.000) 19.923 ======================= Grid point 10 (8/100) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -24.500 10.485 0.000) 26.650 2.107 ( 24.500 10.485 0.000) 26.650 2.276 ( -33.090 -1.346 0.000) 33.117 2.276 ( 33.090 -1.346 0.000) 33.117 3.427 ( -5.912 -4.449 0.000) 7.399 3.427 ( 5.912 -4.449 0.000) 7.399 3.745 ( -26.359 16.625 0.000) 31.164 3.745 ( 26.359 16.625 0.000) 31.164 4.162 ( -7.726 3.790 0.000) 8.606 4.162 ( 7.726 3.790 0.000) 8.606 4.560 ( -13.629 -4.264 0.000) 14.281 4.560 ( 13.629 -4.264 0.000) 14.281 5.033 ( -5.453 -10.359 0.000) 11.707 5.033 ( 5.453 -10.359 0.000) 11.707 5.424 ( -1.201 -8.512 0.000) 8.597 5.424 ( 1.201 -8.512 0.000) 8.597 5.566 ( -16.719 6.754 0.000) 18.032 5.566 ( 16.719 6.754 0.000) 18.032 5.878 ( -2.071 5.908 0.000) 6.261 5.878 ( 2.071 5.908 0.000) 6.261 6.454 ( -13.572 -14.030 0.000) 19.520 6.454 ( 13.572 -14.030 0.000) 19.520 6.661 ( -12.576 -7.294 0.000) 14.538 6.661 ( 12.576 -7.294 0.000) 14.538 7.151 ( -13.767 -8.305 0.000) 16.078 7.151 ( 13.767 -8.305 0.000) 16.078 7.550 ( -5.178 -7.486 0.000) 9.102 7.550 ( 5.178 -7.486 0.000) 9.102 7.956 ( -0.499 -0.410 0.000) 0.646 7.956 ( 0.499 -0.410 0.000) 0.646 8.120 ( -13.286 11.435 0.000) 17.530 8.120 ( 13.286 11.435 0.000) 17.530 8.561 ( -3.681 -11.838 0.000) 12.397 8.561 ( 3.681 -11.838 0.000) 12.397 9.043 ( -0.569 -1.229 0.000) 1.354 9.043 ( 0.569 -1.229 0.000) 1.354 9.137 ( -7.508 -6.641 0.000) 10.023 9.137 ( 7.508 -6.641 0.000) 10.023 9.685 ( -3.787 -6.752 0.000) 7.741 9.685 ( 3.787 -6.752 0.000) 7.741 9.850 ( -6.357 0.350 0.000) 6.366 9.850 ( 6.357 0.350 0.000) 6.366 10.076 ( -11.631 0.208 0.000) 11.633 10.076 ( 11.631 0.208 0.000) 11.633 10.264 ( -1.145 2.266 0.000) 2.539 10.264 ( 1.145 2.266 0.000) 2.539 10.351 ( -3.334 -2.372 0.000) 4.092 10.351 ( 3.334 -2.372 0.000) 4.092 10.780 ( -1.912 10.964 0.000) 11.130 10.780 ( 1.912 10.964 0.000) 11.130 10.891 ( -5.622 -5.178 0.000) 7.643 10.891 ( 5.622 -5.178 0.000) 7.643 12.273 ( -26.698 5.234 0.000) 27.206 12.273 ( 26.698 5.234 0.000) 27.206 13.250 ( -10.211 -9.462 0.000) 13.921 13.250 ( 10.211 -9.462 0.000) 13.921 13.685 ( -5.493 13.603 0.000) 14.670 13.685 ( 5.493 13.603 0.000) 14.670 14.421 ( -9.705 8.955 0.000) 13.206 14.421 ( 9.705 8.955 0.000) 13.206 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 32.714 0.000) 32.714 1.543 ( 0.000 34.772 0.000) 34.772 2.846 ( 0.000 65.507 0.000) 65.507 2.964 ( 0.000 11.882 0.000) 11.882 3.119 ( 0.000 -19.984 0.000) 19.984 3.399 ( 0.000 -2.466 0.000) 2.466 3.565 ( 0.000 -7.341 0.000) 7.341 3.811 ( 0.000 2.127 0.000) 2.127 4.286 ( 0.000 2.426 0.000) 2.426 4.459 ( 0.000 -14.009 0.000) 14.009 4.471 ( 0.000 1.559 0.000) 1.559 4.685 ( 0.000 -8.506 0.000) 8.506 4.734 ( 0.000 1.842 0.000) 1.842 5.106 ( 0.000 3.481 0.000) 3.481 5.171 ( 0.000 -5.563 0.000) 5.563 5.223 ( 0.000 -12.510 0.000) 12.510 5.376 ( 0.000 -20.937 0.000) 20.937 5.692 ( 0.000 -7.445 0.000) 7.445 6.002 ( 0.000 12.160 0.000) 12.160 6.004 ( 0.000 1.410 0.000) 1.410 6.052 ( 0.000 3.696 0.000) 3.696 6.484 ( 0.000 -15.153 0.000) 15.153 6.513 ( 0.000 -9.393 0.000) 9.393 6.945 ( 0.000 18.186 0.000) 18.186 7.012 ( 0.000 -21.645 0.000) 21.645 7.146 ( 0.000 -36.499 0.000) 36.499 7.190 ( 0.000 9.245 0.000) 9.245 7.372 ( 0.000 -4.571 0.000) 4.571 7.755 ( 0.000 2.173 0.000) 2.173 7.970 ( 0.000 0.402 0.000) 0.402 7.979 ( 0.000 -2.431 0.000) 2.431 8.088 ( 0.000 6.213 0.000) 6.213 8.359 ( 0.000 -30.973 0.000) 30.973 8.521 ( 0.000 0.009 0.000) 0.009 8.554 ( 0.000 1.405 0.000) 1.405 8.597 ( 0.000 -1.712 0.000) 1.712 9.074 ( 0.000 -5.521 0.000) 5.521 9.212 ( 0.000 -0.796 0.000) 0.796 9.215 ( 0.000 -2.583 0.000) 2.583 9.276 ( 0.000 4.215 0.000) 4.215 9.602 ( 0.000 -4.439 0.000) 4.439 9.767 ( 0.000 -0.386 0.000) 0.386 10.059 ( 0.000 6.064 0.000) 6.064 10.104 ( 0.000 -4.159 0.000) 4.159 10.249 ( 0.000 -2.928 0.000) 2.928 10.258 ( 0.000 -11.469 0.000) 11.469 10.609 ( 0.000 3.052 0.000) 3.052 10.623 ( 0.000 0.436 0.000) 0.436 10.880 ( 0.000 7.809 0.000) 7.809 10.941 ( 0.000 0.781 0.000) 0.781 11.100 ( 0.000 16.258 0.000) 16.258 11.306 ( 0.000 0.005 0.000) 0.005 12.021 ( 0.000 23.140 0.000) 23.140 12.084 ( 0.000 -8.663 0.000) 8.663 12.704 ( 0.000 -3.017 0.000) 3.017 13.577 ( 0.000 -7.950 0.000) 7.950 13.846 ( 0.000 9.404 0.000) 9.404 14.095 ( 0.000 -2.144 0.000) 2.144 14.498 ( 0.000 17.221 0.000) 17.221 15.334 ( 0.000 -1.505 0.000) 1.505 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 18.293 29.127 0.000) 34.394 1.660 ( 11.968 33.079 0.000) 35.178 2.941 ( -1.688 14.040 0.000) 14.141 3.078 ( -6.755 -14.459 0.000) 15.959 3.131 ( 25.359 55.063 0.000) 60.622 3.387 ( 0.001 -4.593 0.000) 4.593 3.535 ( -3.411 -3.362 0.000) 4.789 3.687 ( -9.186 -2.316 0.000) 9.473 4.189 ( -8.181 -0.770 0.000) 8.217 4.378 ( -5.578 -18.910 0.000) 19.716 4.475 ( -0.135 -0.500 0.000) 0.518 4.508 ( -10.167 6.713 0.000) 12.183 4.900 ( 15.639 -6.754 0.000) 17.035 5.239 ( 2.348 -10.600 0.000) 10.857 5.243 ( 5.469 -3.808 0.000) 6.664 5.327 ( -6.740 -16.958 0.000) 18.248 5.379 ( 18.304 -1.740 0.000) 18.386 5.768 ( 8.041 -8.357 0.000) 11.598 5.971 ( -2.089 7.839 0.000) 8.112 6.084 ( 5.853 1.808 0.000) 6.126 6.095 ( 4.738 3.675 0.000) 5.997 6.309 ( -13.588 -11.900 0.000) 18.063 6.432 ( -35.698 22.182 0.000) 42.028 6.535 ( 1.767 -17.028 0.000) 17.119 6.940 ( -4.930 -11.482 0.000) 12.496 7.199 ( 2.428 -30.695 0.000) 30.791 7.276 ( -1.623 -15.759 0.000) 15.842 7.563 ( 8.861 5.569 0.000) 10.465 7.799 ( 5.450 3.898 0.000) 6.701 7.926 ( 0.087 -6.358 0.000) 6.358 7.959 ( 0.559 3.842 0.000) 3.882 8.236 ( 5.150 -0.557 0.000) 5.180 8.313 ( -2.345 -23.844 0.000) 23.959 8.488 ( -1.168 1.163 0.000) 1.648 8.644 ( 6.844 -6.358 0.000) 9.341 8.655 ( 5.082 -5.129 0.000) 7.221 9.130 ( 4.682 -4.941 0.000) 6.807 9.190 ( -1.100 4.002 0.000) 4.151 9.248 ( 4.371 -3.950 0.000) 5.891 9.347 ( 6.560 0.707 0.000) 6.598 9.626 ( 2.348 -4.015 0.000) 4.651 9.797 ( 2.650 -1.562 0.000) 3.077 10.067 ( 1.613 7.054 0.000) 7.236 10.145 ( 3.690 -3.931 0.000) 5.391 10.238 ( -0.857 -3.053 0.000) 3.170 10.265 ( 0.551 -10.905 0.000) 10.919 10.556 ( -5.198 3.492 0.000) 6.262 10.567 ( -6.885 -0.220 0.000) 6.889 10.829 ( -6.842 2.230 0.000) 7.196 10.898 ( 1.150 6.203 0.000) 6.309 11.110 ( -0.504 17.560 0.000) 17.568 11.352 ( 2.231 4.165 0.000) 4.725 11.875 ( -8.845 16.414 0.000) 18.646 12.274 ( 17.785 -10.272 0.000) 20.539 12.875 ( 14.212 -0.849 0.000) 14.237 13.289 ( -21.628 -1.742 0.000) 21.698 14.035 ( -6.041 -0.396 0.000) 6.054 14.067 ( 14.596 3.843 0.000) 15.093 14.425 ( -7.344 17.364 0.000) 18.853 15.171 ( -14.835 3.813 0.000) 15.317 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 20.071 25.333 0.000) 32.320 1.976 ( 24.161 23.235 0.000) 33.521 2.785 ( -14.373 13.562 0.000) 19.761 2.818 ( -19.726 1.010 0.000) 19.752 3.352 ( -4.072 -6.643 0.000) 7.792 3.424 ( -6.532 1.473 0.000) 6.696 3.659 ( 7.209 -9.497 0.000) 11.923 3.733 ( 29.301 38.942 0.000) 48.734 4.083 ( 2.092 -1.807 0.000) 2.764 4.321 ( -0.281 -22.955 0.000) 22.957 4.383 ( -2.814 2.027 0.000) 3.468 4.491 ( 1.414 -0.827 0.000) 1.638 5.106 ( -14.195 -9.845 0.000) 17.275 5.228 ( 17.072 -6.793 0.000) 18.374 5.289 ( 3.357 -4.994 0.000) 6.018 5.322 ( 1.867 0.600 0.000) 1.961 5.551 ( -18.730 12.706 0.000) 22.633 5.829 ( -5.322 2.345 0.000) 5.816 5.846 ( -13.396 -9.935 0.000) 16.678 5.976 ( 8.642 -5.260 0.000) 10.117 6.026 ( -4.467 5.496 0.000) 7.083 6.254 ( 12.435 1.042 0.000) 12.479 6.306 ( 2.946 -10.837 0.000) 11.230 6.566 ( 2.858 -9.583 0.000) 10.000 6.816 ( -4.797 -9.524 0.000) 10.663 7.202 ( -6.732 -18.971 0.000) 20.130 7.246 ( 2.164 -20.225 0.000) 20.340 7.473 ( -12.538 -5.386 0.000) 13.646 7.912 ( 5.867 2.203 0.000) 6.267 7.985 ( 5.739 -14.106 0.000) 15.228 8.093 ( 8.153 5.105 0.000) 9.620 8.190 ( -6.984 -2.930 0.000) 7.574 8.298 ( 1.213 -13.896 0.000) 13.949 8.473 ( -2.313 4.119 0.000) 4.724 8.757 ( 4.574 -12.495 0.000) 13.305 8.757 ( 4.578 -12.449 0.000) 13.264 9.181 ( 0.019 7.670 0.000) 7.670 9.184 ( 0.971 1.310 0.000) 1.630 9.389 ( 8.655 -9.209 0.000) 12.638 9.496 ( 6.837 -2.560 0.000) 7.301 9.694 ( 6.041 -1.432 0.000) 6.208 9.845 ( 1.966 -2.702 0.000) 3.341 10.120 ( 3.473 6.225 0.000) 7.129 10.214 ( -1.888 -2.709 0.000) 3.302 10.227 ( 4.512 -2.987 0.000) 5.411 10.279 ( 0.832 -8.785 0.000) 8.824 10.389 ( -9.197 2.483 0.000) 9.526 10.426 ( -8.229 5.082 0.000) 9.671 10.772 ( 0.476 2.240 0.000) 2.290 10.904 ( -0.814 3.667 0.000) 3.756 11.081 ( -2.123 17.687 0.000) 17.814 11.227 ( -13.349 12.926 0.000) 18.582 11.954 ( 16.782 6.449 0.000) 17.978 12.664 ( 21.221 -12.126 0.000) 24.441 12.846 ( -24.318 1.278 0.000) 24.352 13.109 ( 7.095 -5.648 0.000) 9.069 13.911 ( -4.383 6.690 0.000) 7.998 14.200 ( -10.137 11.252 0.000) 15.145 14.362 ( 10.930 9.499 0.000) 14.481 14.871 ( -15.464 7.963 0.000) 17.394 ======================= Grid point 17 (12/100) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -8.462 14.831 0.000) 17.076 2.359 ( 8.462 14.831 0.000) 17.076 2.459 ( -7.222 17.329 0.000) 18.774 2.459 ( 7.222 17.329 0.000) 18.774 3.327 ( -2.320 -3.894 0.000) 4.532 3.327 ( 2.320 -3.894 0.000) 4.532 3.826 ( -7.713 -4.694 0.000) 9.029 3.826 ( 7.713 -4.694 0.000) 9.029 4.345 ( -2.053 -16.390 0.000) 16.518 4.345 ( 2.053 -16.390 0.000) 16.518 4.464 ( -14.150 16.542 0.000) 21.769 4.464 ( 14.150 16.542 0.000) 21.769 5.000 ( -15.170 11.472 0.000) 19.019 5.000 ( 15.170 11.472 0.000) 19.019 5.324 ( -1.294 -0.665 0.000) 1.455 5.324 ( 1.294 -0.665 0.000) 1.455 5.556 ( -16.203 -9.585 0.000) 18.825 5.556 ( 16.203 -9.585 0.000) 18.825 5.951 ( -5.844 1.517 0.000) 6.037 5.951 ( 5.844 1.517 0.000) 6.037 6.173 ( -11.971 -13.358 0.000) 17.937 6.173 ( 11.971 -13.358 0.000) 17.937 6.501 ( -11.158 -4.494 0.000) 12.029 6.501 ( 11.158 -4.494 0.000) 12.029 6.969 ( -16.642 -10.941 0.000) 19.916 6.969 ( 16.642 -10.941 0.000) 19.916 7.296 ( -4.614 -13.399 0.000) 14.171 7.296 ( 4.614 -13.399 0.000) 14.171 8.037 ( -6.917 5.062 0.000) 8.571 8.037 ( 6.917 5.062 0.000) 8.571 8.110 ( -4.320 -21.772 0.000) 22.196 8.110 ( 4.320 -21.772 0.000) 22.196 8.387 ( -6.256 4.930 0.000) 7.965 8.387 ( 6.256 4.930 0.000) 7.965 8.803 ( -0.055 -15.080 0.000) 15.080 8.803 ( 0.055 -15.080 0.000) 15.080 9.186 ( -0.341 6.618 0.000) 6.626 9.186 ( 0.341 6.618 0.000) 6.626 9.516 ( -3.932 -8.275 0.000) 9.162 9.516 ( 3.932 -8.275 0.000) 9.162 9.835 ( -4.838 -1.134 0.000) 4.969 9.835 ( 4.838 -1.134 0.000) 4.969 10.174 ( -2.018 3.119 0.000) 3.715 10.174 ( 2.018 3.119 0.000) 3.715 10.287 ( -0.127 0.137 0.000) 0.186 10.287 ( 0.127 0.137 0.000) 0.186 10.301 ( -0.838 0.012 0.000) 0.838 10.301 ( 0.838 0.012 0.000) 0.838 10.838 ( -5.705 0.954 0.000) 5.784 10.838 ( 5.705 0.954 0.000) 5.784 11.063 ( -1.968 16.460 0.000) 16.577 11.063 ( 1.968 16.460 0.000) 16.577 12.366 ( -24.759 3.402 0.000) 24.992 12.366 ( 24.759 3.402 0.000) 24.992 13.033 ( -14.503 -12.031 0.000) 18.844 13.033 ( 14.503 -12.031 0.000) 18.844 13.973 ( -10.417 13.761 0.000) 17.259 13.973 ( 10.417 13.761 0.000) 17.259 14.602 ( -13.321 7.569 0.000) 15.322 14.602 ( 13.321 7.569 0.000) 15.322 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 31.141 0.000) 31.141 2.180 ( 0.000 26.603 0.000) 26.603 2.808 ( 0.000 -10.545 0.000) 10.545 3.121 ( 0.000 -6.341 0.000) 6.341 3.319 ( 0.000 -6.663 0.000) 6.663 3.406 ( 0.000 2.286 0.000) 2.286 3.941 ( 0.000 30.081 0.000) 30.081 3.985 ( 0.000 13.994 0.000) 13.994 4.329 ( 0.000 -0.637 0.000) 0.637 4.379 ( 0.000 -13.564 0.000) 13.564 4.473 ( 0.000 0.228 0.000) 0.228 4.519 ( 0.000 30.515 0.000) 30.515 4.850 ( 0.000 0.319 0.000) 0.319 4.920 ( 0.000 -20.320 0.000) 20.320 5.033 ( 0.000 -8.708 0.000) 8.708 5.041 ( 0.000 -0.487 0.000) 0.487 5.237 ( 0.000 9.092 0.000) 9.092 5.614 ( 0.000 -0.485 0.000) 0.485 5.846 ( 0.000 -31.749 0.000) 31.749 5.979 ( 0.000 -20.088 0.000) 20.088 6.072 ( 0.000 -2.369 0.000) 2.369 6.090 ( 0.000 0.341 0.000) 0.341 6.252 ( 0.000 -14.565 0.000) 14.565 6.609 ( 0.000 1.950 0.000) 1.950 6.707 ( 0.000 -36.731 0.000) 36.731 7.066 ( 0.000 11.865 0.000) 11.865 7.250 ( 0.000 9.863 0.000) 9.863 7.546 ( 0.000 -18.231 0.000) 18.231 7.735 ( 0.000 5.342 0.000) 5.342 7.903 ( 0.000 -3.658 0.000) 3.658 7.963 ( 0.000 -1.663 0.000) 1.663 8.024 ( 0.000 10.703 0.000) 10.703 8.163 ( 0.000 -0.286 0.000) 0.286 8.450 ( 0.000 -7.352 0.000) 7.352 8.586 ( 0.000 1.022 0.000) 1.022 8.615 ( 0.000 3.193 0.000) 3.193 9.036 ( 0.000 2.242 0.000) 2.242 9.155 ( 0.000 -2.903 0.000) 2.903 9.205 ( 0.000 -1.332 0.000) 1.332 9.216 ( 0.000 -7.014 0.000) 7.014 9.612 ( 0.000 4.141 0.000) 4.141 9.753 ( 0.000 -1.328 0.000) 1.328 10.003 ( 0.000 -4.945 0.000) 4.945 10.034 ( 0.000 -8.820 0.000) 8.820 10.148 ( 0.000 2.368 0.000) 2.368 10.194 ( 0.000 -2.057 0.000) 2.057 10.629 ( 0.000 -0.002 0.000) 0.002 10.631 ( 0.000 0.200 0.000) 0.200 11.031 ( 0.000 7.068 0.000) 7.068 11.073 ( 0.000 10.776 0.000) 10.776 11.280 ( 0.000 -2.924 0.000) 2.924 11.362 ( 0.000 5.289 0.000) 5.289 12.012 ( 0.000 4.553 0.000) 4.553 12.514 ( 0.000 24.143 0.000) 24.143 12.556 ( 0.000 -11.565 0.000) 11.565 13.343 ( 0.000 -14.923 0.000) 14.923 13.996 ( 0.000 5.062 0.000) 5.062 14.069 ( 0.000 -0.499 0.000) 0.499 14.836 ( 0.000 15.276 0.000) 15.276 15.266 ( 0.000 -5.478 0.000) 5.478 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 13.390 29.073 0.000) 32.008 2.265 ( 8.335 24.558 0.000) 25.934 2.838 ( 2.635 -8.740 0.000) 9.129 3.158 ( -0.274 6.506 0.000) 6.512 3.321 ( 3.785 -17.075 0.000) 17.489 3.351 ( -4.291 0.226 0.000) 4.297 3.805 ( -14.149 12.531 0.000) 18.900 4.052 ( -6.107 6.993 0.000) 9.284 4.128 ( -0.007 8.391 0.000) 8.391 4.410 ( -8.346 29.945 0.000) 31.086 4.427 ( -0.721 -4.470 0.000) 4.528 4.532 ( 2.680 -3.025 0.000) 4.042 4.786 ( 2.977 -2.389 0.000) 3.817 4.972 ( 3.509 -7.738 0.000) 8.496 5.095 ( 5.465 -0.877 0.000) 5.535 5.169 ( 9.790 -9.420 0.000) 13.586 5.428 ( 13.055 5.387 0.000) 14.123 5.672 ( 6.789 -1.073 0.000) 6.873 5.712 ( -11.946 -27.500 0.000) 29.983 5.974 ( 0.052 -17.545 0.000) 17.546 6.108 ( 1.725 -1.533 0.000) 2.307 6.140 ( 5.355 1.106 0.000) 5.468 6.315 ( 6.795 -8.399 0.000) 10.803 6.672 ( 5.411 -5.896 0.000) 8.003 6.693 ( -1.828 -33.758 0.000) 33.807 6.886 ( -29.510 17.899 0.000) 34.514 7.030 ( -4.052 10.149 0.000) 10.928 7.466 ( -7.634 -20.539 0.000) 21.912 7.733 ( -0.657 -12.912 0.000) 12.928 7.749 ( -13.039 -9.249 0.000) 15.986 8.030 ( 2.118 8.652 0.000) 8.907 8.156 ( 16.314 10.338 0.000) 19.314 8.287 ( 2.144 2.188 0.000) 3.063 8.449 ( 1.300 -4.606 0.000) 4.785 8.582 ( -3.032 -1.628 0.000) 3.441 8.593 ( 1.360 -2.355 0.000) 2.720 9.055 ( 2.856 -1.819 0.000) 3.386 9.202 ( 0.462 -5.756 0.000) 5.774 9.233 ( 6.835 2.283 0.000) 7.207 9.328 ( 10.401 1.205 0.000) 10.470 9.625 ( 1.101 2.667 0.000) 2.885 9.770 ( 1.720 -1.820 0.000) 2.504 10.042 ( 3.184 -5.303 0.000) 6.185 10.050 ( 1.263 -8.185 0.000) 8.282 10.166 ( 2.409 2.557 0.000) 3.513 10.194 ( 0.432 -1.222 0.000) 1.296 10.567 ( -6.342 0.144 0.000) 6.344 10.578 ( -4.718 -0.293 0.000) 4.727 10.936 ( -5.827 6.998 0.000) 9.107 11.030 ( -2.720 5.407 0.000) 6.052 11.423 ( 11.139 3.481 0.000) 11.670 11.451 ( 4.198 12.510 0.000) 13.196 12.112 ( 11.261 -3.502 0.000) 11.793 12.189 ( -16.608 10.814 0.000) 19.819 12.823 ( 11.671 -1.679 0.000) 11.791 13.171 ( -15.646 -9.553 0.000) 18.332 14.057 ( -0.743 2.348 0.000) 2.463 14.119 ( 10.324 0.992 0.000) 10.371 14.765 ( -7.012 15.219 0.000) 16.757 15.167 ( -9.731 -3.740 0.000) 10.425 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 11.894 19.317 0.000) 22.684 2.464 ( 17.325 22.874 0.000) 28.695 2.853 ( -2.562 0.708 0.000) 2.658 3.040 ( -10.178 9.715 0.000) 14.070 3.300 ( -1.427 -0.692 0.000) 1.586 3.436 ( 0.202 -2.872 0.000) 2.879 3.610 ( -1.969 6.875 0.000) 7.152 3.803 ( -2.844 -15.708 0.000) 15.963 4.070 ( -14.539 2.632 0.000) 14.776 4.265 ( -13.674 -6.607 0.000) 15.186 4.537 ( 15.684 20.858 0.000) 26.096 4.585 ( 4.058 5.057 0.000) 6.484 4.997 ( 13.739 -11.924 0.000) 18.191 5.060 ( 9.352 15.654 0.000) 18.235 5.223 ( 7.416 -2.671 0.000) 7.882 5.300 ( 3.229 -11.337 0.000) 11.788 5.482 ( -10.899 -15.865 0.000) 19.248 5.617 ( 8.023 1.149 0.000) 8.105 5.841 ( 7.544 -1.541 0.000) 7.700 5.965 ( -2.104 -16.390 0.000) 16.525 6.088 ( -3.424 -1.283 0.000) 3.656 6.195 ( -19.886 14.644 0.000) 24.696 6.363 ( -1.666 13.206 0.000) 13.311 6.498 ( 10.602 -1.587 0.000) 10.720 6.679 ( -1.027 -30.592 0.000) 30.609 6.700 ( -5.234 -4.238 0.000) 6.735 6.987 ( 2.778 -3.105 0.000) 4.167 7.288 ( -10.634 -14.858 0.000) 18.272 7.568 ( -5.507 -18.197 0.000) 19.012 7.680 ( -5.217 -19.037 0.000) 19.739 8.075 ( 2.929 4.993 0.000) 5.789 8.234 ( -4.984 1.063 0.000) 5.096 8.390 ( 6.171 8.517 0.000) 10.518 8.457 ( -1.015 -3.803 0.000) 3.936 8.553 ( 2.152 -6.335 0.000) 6.690 8.637 ( 1.830 -1.486 0.000) 2.358 9.135 ( 4.576 -5.103 0.000) 6.854 9.210 ( 0.187 -5.556 0.000) 5.559 9.377 ( 7.859 6.844 0.000) 10.421 9.531 ( 5.739 8.206 0.000) 10.014 9.674 ( 6.898 -2.702 0.000) 7.409 9.807 ( 1.802 -1.977 0.000) 2.675 10.057 ( -0.592 -7.660 0.000) 7.683 10.083 ( 0.768 -6.333 0.000) 6.379 10.237 ( 4.266 0.853 0.000) 4.350 10.241 ( 4.572 2.142 0.000) 5.049 10.435 ( -6.295 1.810 0.000) 6.550 10.476 ( -5.769 0.147 0.000) 5.771 10.875 ( -0.345 6.908 0.000) 6.916 10.988 ( -2.055 3.571 0.000) 4.120 11.450 ( -3.233 16.448 0.000) 16.763 11.501 ( -6.048 12.057 0.000) 13.489 12.089 ( 9.989 6.783 0.000) 12.074 12.414 ( 18.633 -11.771 0.000) 22.039 12.825 ( -19.863 -2.740 0.000) 20.051 12.932 ( -1.290 -9.938 0.000) 10.021 14.076 ( 3.885 8.456 0.000) 9.305 14.289 ( 4.560 -0.410 0.000) 4.578 14.625 ( -4.425 13.403 0.000) 14.115 14.941 ( -13.041 -0.770 0.000) 13.063 ======================= Grid point 24 (16/100) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -5.651 11.140 0.000) 12.491 2.666 ( 5.651 11.140 0.000) 12.491 2.826 ( -9.515 16.025 0.000) 18.637 2.826 ( 9.515 16.025 0.000) 18.637 3.315 ( -5.468 3.177 0.000) 6.325 3.315 ( 5.468 3.177 0.000) 6.325 3.770 ( -15.144 0.919 0.000) 15.171 3.770 ( 15.144 0.919 0.000) 15.171 3.984 ( -15.049 -15.008 0.000) 21.254 3.984 ( 15.049 -15.008 0.000) 21.254 4.653 ( -1.657 5.472 0.000) 5.717 4.653 ( 1.657 5.472 0.000) 5.717 5.211 ( -7.591 -15.019 0.000) 16.828 5.211 ( 7.591 -15.019 0.000) 16.828 5.343 ( -4.977 -2.256 0.000) 5.465 5.343 ( 4.977 -2.256 0.000) 5.465 5.490 ( -27.123 24.244 0.000) 36.379 5.490 ( 27.123 24.244 0.000) 36.379 5.857 ( -7.749 -6.096 0.000) 9.859 5.857 ( 7.749 -6.096 0.000) 9.859 6.015 ( -3.723 -1.707 0.000) 4.095 6.015 ( 3.723 -1.707 0.000) 4.095 6.523 ( -8.728 4.332 0.000) 9.743 6.523 ( 8.728 4.332 0.000) 9.743 6.660 ( -2.315 -17.620 0.000) 17.771 6.660 ( 2.315 -17.620 0.000) 17.771 7.099 ( -8.365 -8.336 0.000) 11.810 7.099 ( 8.365 -8.336 0.000) 11.810 7.566 ( -4.897 -23.309 0.000) 23.818 7.566 ( 4.897 -23.309 0.000) 23.818 8.143 ( -4.334 2.784 0.000) 5.151 8.143 ( 4.334 2.784 0.000) 5.151 8.433 ( -1.129 -2.834 0.000) 3.050 8.433 ( 1.129 -2.834 0.000) 3.050 8.628 ( -2.984 -0.514 0.000) 3.028 8.628 ( 2.984 -0.514 0.000) 3.028 9.197 ( -1.860 -5.439 0.000) 5.748 9.197 ( 1.860 -5.439 0.000) 5.748 9.508 ( -5.271 7.553 0.000) 9.211 9.508 ( 5.271 7.553 0.000) 9.211 9.810 ( -3.037 -1.823 0.000) 3.542 9.810 ( 3.037 -1.823 0.000) 3.542 10.066 ( -1.952 -7.726 0.000) 7.969 10.066 ( 1.952 -7.726 0.000) 7.969 10.303 ( -0.621 0.930 0.000) 1.118 10.303 ( 0.621 0.930 0.000) 1.118 10.378 ( -2.724 2.822 0.000) 3.922 10.378 ( 2.724 2.822 0.000) 3.922 10.923 ( -4.595 5.993 0.000) 7.552 10.923 ( 4.595 5.993 0.000) 7.552 11.401 ( -0.425 14.904 0.000) 14.910 11.401 ( 0.425 14.904 0.000) 14.910 12.415 ( -20.247 2.006 0.000) 20.347 12.415 ( 20.247 2.006 0.000) 20.347 12.770 ( -14.489 -13.007 0.000) 19.470 12.770 ( 14.489 -13.007 0.000) 19.470 14.211 ( -9.055 8.815 0.000) 12.637 14.211 ( 9.055 8.815 0.000) 12.637 14.709 ( -10.683 3.007 0.000) 11.098 14.709 ( 10.683 3.007 0.000) 11.098 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 0.000 -0.900 0.000) 0.900 2.555 ( 0.000 0.900 0.000) 0.900 2.683 ( 0.000 -16.849 0.000) 16.849 2.683 ( 0.000 16.849 0.000) 16.849 3.402 ( 0.000 -4.498 0.000) 4.498 3.402 ( 0.000 4.498 0.000) 4.498 4.161 ( 0.000 -0.920 0.000) 0.920 4.161 ( 0.000 0.920 0.000) 0.920 4.272 ( 0.000 -3.781 0.000) 3.781 4.272 ( 0.000 3.781 0.000) 3.781 4.661 ( 0.000 -18.473 0.000) 18.473 4.661 ( 0.000 18.473 0.000) 18.473 4.742 ( 0.000 -3.689 0.000) 3.689 4.742 ( 0.000 3.689 0.000) 3.689 5.281 ( 0.000 -20.590 0.000) 20.590 5.281 ( 0.000 20.590 0.000) 20.590 5.358 ( 0.000 -16.933 0.000) 16.933 5.358 ( 0.000 16.933 0.000) 16.933 5.585 ( 0.000 -4.780 0.000) 4.780 5.585 ( 0.000 4.780 0.000) 4.780 6.075 ( 0.000 -9.702 0.000) 9.702 6.075 ( 0.000 9.702 0.000) 9.702 6.081 ( 0.000 -0.907 0.000) 0.907 6.081 ( 0.000 0.907 0.000) 0.907 6.975 ( 0.000 -25.753 0.000) 25.753 6.975 ( 0.000 25.753 0.000) 25.753 7.278 ( 0.000 -6.722 0.000) 6.722 7.278 ( 0.000 6.722 0.000) 6.722 7.901 ( 0.000 -3.268 0.000) 3.268 7.901 ( 0.000 3.268 0.000) 3.268 8.031 ( 0.000 -12.631 0.000) 12.631 8.031 ( 0.000 12.631 0.000) 12.631 8.257 ( 0.000 -10.650 0.000) 10.650 8.257 ( 0.000 10.650 0.000) 10.650 8.630 ( 0.000 -1.959 0.000) 1.959 8.630 ( 0.000 1.959 0.000) 1.959 9.124 ( 0.000 -0.897 0.000) 0.897 9.124 ( 0.000 0.897 0.000) 0.897 9.131 ( 0.000 -5.492 0.000) 5.492 9.131 ( 0.000 5.492 0.000) 5.492 9.701 ( 0.000 -3.780 0.000) 3.780 9.701 ( 0.000 3.780 0.000) 3.780 9.942 ( 0.000 -0.068 0.000) 0.068 9.942 ( 0.000 0.068 0.000) 0.068 10.170 ( 0.000 -0.556 0.000) 0.556 10.170 ( 0.000 0.556 0.000) 0.556 10.630 ( 0.000 -0.172 0.000) 0.172 10.630 ( 0.000 0.172 0.000) 0.172 11.181 ( 0.000 -6.652 0.000) 6.652 11.181 ( 0.000 6.652 0.000) 6.652 11.290 ( 0.000 -9.298 0.000) 9.298 11.290 ( 0.000 9.298 0.000) 9.298 12.260 ( 0.000 -16.024 0.000) 16.024 12.260 ( 0.000 16.024 0.000) 16.024 12.977 ( 0.000 -20.757 0.000) 20.757 12.977 ( 0.000 20.757 0.000) 20.757 14.057 ( 0.000 -1.273 0.000) 1.273 14.057 ( 0.000 1.273 0.000) 1.273 15.102 ( 0.000 -10.632 0.000) 10.632 15.102 ( 0.000 10.632 0.000) 10.632 ======================= Grid point 30 (18/100) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.662 -2.088 0.000) 4.216 2.590 ( 3.662 2.088 0.000) 4.216 2.817 ( 13.000 -19.862 0.000) 23.739 2.817 ( 13.000 19.862 0.000) 23.739 3.326 ( -6.685 -3.280 0.000) 7.446 3.326 ( -6.685 3.280 0.000) 7.446 4.026 ( -17.618 -1.523 0.000) 17.684 4.026 ( -17.618 1.523 0.000) 17.684 4.268 ( 6.238 -7.367 0.000) 9.654 4.268 ( 6.238 7.367 0.000) 9.654 4.629 ( -7.093 -2.404 0.000) 7.489 4.629 ( -7.093 2.404 0.000) 7.489 4.810 ( 8.506 -13.782 0.000) 16.196 4.810 ( 8.506 13.782 0.000) 16.196 5.261 ( -0.755 -13.321 0.000) 13.342 5.261 ( -0.755 13.321 0.000) 13.342 5.442 ( 6.359 -17.856 0.000) 18.955 5.442 ( 6.359 17.856 0.000) 18.955 5.677 ( 8.432 -1.992 0.000) 8.664 5.677 ( 8.432 1.992 0.000) 8.664 6.075 ( 0.294 -9.545 0.000) 9.549 6.075 ( 0.294 9.545 0.000) 9.549 6.165 ( 8.678 -0.276 0.000) 8.682 6.165 ( 8.678 0.276 0.000) 8.682 6.953 ( -2.114 -23.404 0.000) 23.499 6.953 ( -2.114 23.404 0.000) 23.499 7.150 ( -15.434 -0.619 0.000) 15.446 7.150 ( -15.434 0.619 0.000) 15.446 7.608 ( -12.866 -0.127 0.000) 12.867 7.608 ( -12.866 0.127 0.000) 12.867 8.229 ( -2.340 -8.404 0.000) 8.724 8.229 ( -2.340 8.404 0.000) 8.724 8.338 ( 15.608 -5.839 0.000) 16.664 8.338 ( 15.608 5.839 0.000) 16.664 8.560 ( -5.960 -0.002 0.000) 5.960 8.560 ( -5.960 0.002 0.000) 5.960 9.078 ( 0.195 -2.241 0.000) 2.249 9.078 ( 0.195 2.241 0.000) 2.249 9.310 ( 12.376 -1.610 0.000) 12.480 9.310 ( 12.376 1.610 0.000) 12.480 9.704 ( 0.403 -2.965 0.000) 2.992 9.704 ( 0.403 2.965 0.000) 2.992 9.972 ( 2.216 -0.062 0.000) 2.217 9.972 ( 2.216 0.062 0.000) 2.217 10.185 ( 2.091 -0.000 0.000) 2.091 10.185 ( 2.091 0.000 0.000) 2.091 10.571 ( -5.484 -0.054 0.000) 5.484 10.571 ( -5.484 0.054 0.000) 5.484 11.055 ( -5.696 -2.319 0.000) 6.150 11.055 ( -5.696 2.319 0.000) 6.150 11.515 ( 14.167 -0.996 0.000) 14.202 11.515 ( 14.167 0.996 0.000) 14.202 12.192 ( -5.225 -1.929 0.000) 5.570 12.192 ( -5.225 1.929 0.000) 5.570 12.936 ( -4.526 -7.865 0.000) 9.074 12.936 ( -4.526 7.865 0.000) 9.074 14.107 ( 5.011 -1.893 0.000) 5.357 14.107 ( 5.011 1.893 0.000) 5.357 15.025 ( -7.656 -10.026 0.000) 12.615 15.025 ( -7.656 10.026 0.000) 12.615 ======================= Grid point 32 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 5.988 -2.214 0.000) 6.384 2.687 ( 5.988 2.214 0.000) 6.384 3.033 ( 2.800 -15.559 0.000) 15.809 3.033 ( 2.800 15.559 0.000) 15.809 3.277 ( 7.387 -0.567 0.000) 7.408 3.277 ( 7.387 0.567 0.000) 7.408 3.724 ( -11.798 -0.003 0.000) 11.798 3.724 ( -11.798 0.003 0.000) 11.798 4.185 ( -14.429 -1.961 0.000) 14.562 4.185 ( -14.429 1.961 0.000) 14.562 4.648 ( 7.201 -0.669 0.000) 7.232 4.648 ( 7.201 0.669 0.000) 7.232 4.936 ( 4.721 -10.163 0.000) 11.205 4.936 ( 4.721 10.163 0.000) 11.205 5.256 ( 0.008 -7.725 0.000) 7.725 5.256 ( 0.008 7.725 0.000) 7.725 5.594 ( 10.230 -14.616 0.000) 17.840 5.594 ( 10.230 14.616 0.000) 17.840 5.826 ( 6.069 -0.004 0.000) 6.069 5.826 ( 6.069 0.004 0.000) 6.069 6.086 ( 1.423 -13.803 0.000) 13.877 6.086 ( 1.423 13.803 0.000) 13.877 6.369 ( 8.373 -3.432 0.000) 9.049 6.369 ( 8.373 3.432 0.000) 9.049 6.742 ( -19.443 -6.297 0.000) 20.438 6.742 ( -19.443 6.297 0.000) 20.438 6.934 ( -1.862 -11.103 0.000) 11.258 6.934 ( -1.862 11.103 0.000) 11.258 7.438 ( -7.549 -3.671 0.000) 8.395 7.438 ( -7.549 3.671 0.000) 8.395 8.183 ( -2.106 -4.766 0.000) 5.210 8.183 ( -2.106 4.766 0.000) 5.210 8.432 ( -4.305 -0.471 0.000) 4.331 8.432 ( -4.305 0.471 0.000) 4.331 8.578 ( 7.368 -4.967 0.000) 8.886 8.578 ( 7.368 4.967 0.000) 8.886 9.103 ( 1.727 -1.702 0.000) 2.425 9.103 ( 1.727 1.702 0.000) 2.425 9.544 ( 10.602 -4.409 0.000) 11.482 9.544 ( 10.602 4.409 0.000) 11.482 9.721 ( 1.658 -3.847 0.000) 4.189 9.721 ( 1.658 3.847 0.000) 4.189 9.989 ( -0.588 -0.292 0.000) 0.656 9.989 ( -0.588 0.292 0.000) 0.656 10.255 ( 4.623 -0.040 0.000) 4.623 10.255 ( 4.623 0.040 0.000) 4.623 10.462 ( -5.216 -0.421 0.000) 5.233 10.462 ( -5.216 0.421 0.000) 5.233 10.995 ( -0.839 -1.307 0.000) 1.553 10.995 ( -0.839 1.307 0.000) 1.553 11.644 ( -2.616 -0.010 0.000) 2.616 11.644 ( -2.616 0.010 0.000) 2.616 12.221 ( 11.254 -1.161 0.000) 11.314 12.221 ( 11.254 1.161 0.000) 11.314 12.795 ( -10.654 -0.193 0.000) 10.655 12.795 ( -10.654 0.193 0.000) 10.655 14.224 ( 6.646 -5.584 0.000) 8.681 14.224 ( 6.646 5.584 0.000) 8.681 14.849 ( -9.638 -8.046 0.000) 12.555 14.849 ( -9.638 8.046 0.000) 12.555 ======================= Grid point 34 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -0.000 0.000 0.000) 0.000 2.761 ( -0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.674 ( -0.000 0.000 0.000) 0.000 3.674 ( -0.000 0.000 0.000) 0.000 3.956 ( 0.000 -0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.728 ( -0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 4.983 ( -0.000 -0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.741 ( -0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 6.196 ( -0.000 -0.000 0.000) 0.000 6.196 ( 0.000 -0.000 0.000) 0.000 6.220 ( -0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 7.343 ( -0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.643 ( -0.000 -0.000 0.000) 0.000 9.643 ( 0.000 -0.000 0.000) 0.000 9.757 ( -0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.401 ( -0.000 0.000 0.000) 0.000 10.401 ( -0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 12.463 ( 0.000 -0.000 0.000) 0.000 12.463 ( 0.000 -0.000 0.000) 0.000 12.585 ( -0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 14.305 ( 0.000 0.000 0.000) 0.000 14.305 ( -0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 0.000 0.000 34.271) 34.271 0.742 ( 0.000 0.000 35.787) 35.787 1.384 ( 0.000 0.000 68.349) 68.349 2.821 ( 0.000 0.000 15.929) 15.929 3.424 ( 0.000 0.000 -15.742) 15.742 3.595 ( 0.000 0.000 -14.072) 14.072 3.944 ( 0.000 0.000 -11.925) 11.925 4.033 ( 0.000 0.000 11.107) 11.107 4.231 ( 0.000 0.000 -6.844) 6.844 4.408 ( 0.000 0.000 0.484) 0.484 4.413 ( 0.000 0.000 9.671) 9.671 4.969 ( 0.000 0.000 -8.342) 8.342 5.101 ( 0.000 0.000 -0.770) 0.770 5.107 ( 0.000 0.000 -4.331) 4.331 5.381 ( 0.000 0.000 -2.547) 2.547 5.433 ( 0.000 0.000 -1.762) 1.762 5.440 ( 0.000 0.000 -1.976) 1.976 5.833 ( 0.000 0.000 -10.479) 10.479 5.839 ( 0.000 0.000 11.902) 11.902 5.887 ( 0.000 0.000 8.635) 8.635 6.252 ( 0.000 0.000 0.856) 0.856 6.294 ( 0.000 0.000 0.050) 0.050 6.467 ( 0.000 0.000 -0.503) 0.503 6.807 ( 0.000 0.000 12.388) 12.388 7.057 ( 0.000 0.000 -8.341) 8.341 7.121 ( 0.000 0.000 16.892) 16.892 7.662 ( 0.000 0.000 -8.170) 8.170 7.793 ( 0.000 0.000 -16.445) 16.445 7.889 ( 0.000 0.000 -4.072) 4.072 8.053 ( 0.000 0.000 -0.757) 0.757 8.063 ( 0.000 0.000 -3.460) 3.460 8.292 ( 0.000 0.000 9.746) 9.746 8.483 ( 0.000 0.000 -3.586) 3.586 8.576 ( 0.000 0.000 -5.041) 5.041 8.686 ( 0.000 0.000 -13.855) 13.855 8.762 ( 0.000 0.000 0.113) 0.113 9.260 ( 0.000 0.000 -1.545) 1.545 9.268 ( 0.000 0.000 -2.028) 2.028 9.408 ( 0.000 0.000 4.911) 4.911 9.414 ( 0.000 0.000 -9.349) 9.349 9.644 ( 0.000 0.000 -5.674) 5.674 9.802 ( 0.000 0.000 4.145) 4.145 9.873 ( 0.000 0.000 -1.353) 1.353 10.058 ( 0.000 0.000 -3.752) 3.752 10.198 ( 0.000 0.000 -6.792) 6.792 10.374 ( 0.000 0.000 -1.411) 1.411 10.403 ( 0.000 0.000 -4.571) 4.571 10.641 ( 0.000 0.000 1.798) 1.798 10.671 ( 0.000 0.000 -5.702) 5.702 10.854 ( 0.000 0.000 3.946) 3.946 11.319 ( 0.000 0.000 23.645) 23.645 11.363 ( 0.000 0.000 8.342) 8.342 11.457 ( 0.000 0.000 -4.539) 4.539 12.571 ( 0.000 0.000 -10.640) 10.640 12.575 ( 0.000 0.000 15.950) 15.950 13.556 ( 0.000 0.000 2.680) 2.680 13.678 ( 0.000 0.000 -2.438) 2.438 13.941 ( 0.000 0.000 -9.168) 9.168 14.269 ( 0.000 0.000 8.735) 8.735 14.958 ( 0.000 0.000 0.642) 0.642 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 24.974 0.000 24.314) 34.855 1.060 ( 32.361 0.000 22.533) 39.433 1.866 ( 41.881 0.000 49.360) 64.733 2.847 ( -3.624 0.000 9.554) 10.218 3.362 ( -4.944 0.000 -14.262) 15.095 3.525 ( -1.073 0.000 -11.141) 11.193 3.694 ( -25.983 0.000 8.006) 27.188 3.929 ( 1.517 0.000 -5.056) 5.279 4.219 ( -14.238 0.000 -3.679) 14.706 4.334 ( -1.483 0.000 3.278) 3.598 4.522 ( 5.313 0.000 6.128) 8.110 4.851 ( 4.524 0.000 3.683) 5.834 5.048 ( -6.302 0.000 -3.013) 6.986 5.305 ( 12.435 0.000 -13.498) 18.353 5.371 ( -0.460 0.000 -2.181) 2.229 5.434 ( 7.521 0.000 -13.559) 15.505 5.725 ( -16.019 0.000 1.970) 16.139 5.770 ( 11.957 0.000 -0.166) 11.959 5.784 ( -8.315 0.000 -3.036) 8.852 5.858 ( 9.197 0.000 8.593) 12.587 6.091 ( -18.813 0.000 4.242) 19.285 6.285 ( 3.797 0.000 3.946) 5.476 6.345 ( -0.521 0.000 11.835) 11.846 6.997 ( 9.863 0.000 2.148) 10.094 7.110 ( 5.624 0.000 -7.456) 9.339 7.288 ( 15.282 0.000 13.646) 20.488 7.616 ( -5.584 0.000 -3.501) 6.591 7.665 ( -11.747 0.000 -19.886) 23.096 7.845 ( -2.029 0.000 -11.453) 11.631 7.975 ( -7.306 0.000 -2.160) 7.618 8.170 ( 1.378 0.000 -1.745) 2.223 8.297 ( -1.803 0.000 4.845) 5.169 8.504 ( 2.723 0.000 -4.673) 5.408 8.635 ( 6.260 0.000 -3.979) 7.418 8.776 ( 6.927 0.000 -8.351) 10.850 8.884 ( 7.942 0.000 -3.619) 8.728 9.279 ( -1.162 0.000 -2.340) 2.612 9.286 ( -0.138 0.000 -0.671) 0.685 9.362 ( -1.393 0.000 -10.573) 10.665 9.578 ( 13.034 0.000 -3.385) 13.467 9.699 ( 4.698 0.000 -4.951) 6.825 9.810 ( 1.484 0.000 6.270) 6.443 9.991 ( 10.724 0.000 -8.504) 13.686 10.086 ( 2.122 0.000 -6.479) 6.817 10.140 ( -5.743 0.000 -4.922) 7.563 10.346 ( -2.594 0.000 -1.766) 3.138 10.425 ( 2.417 0.000 -4.180) 4.829 10.625 ( -1.873 0.000 1.699) 2.529 10.637 ( -4.365 0.000 -4.331) 6.149 10.858 ( -0.045 0.000 6.245) 6.245 11.137 ( -14.296 0.000 17.942) 22.941 11.328 ( -5.388 0.000 11.248) 12.472 11.455 ( 4.815 0.000 0.746) 4.872 12.677 ( 9.730 0.000 -11.563) 15.112 12.763 ( 17.622 0.000 14.958) 23.114 13.225 ( -21.506 0.000 1.213) 21.540 13.827 ( -3.829 0.000 -6.440) 7.493 13.973 ( 10.368 0.000 -2.522) 10.670 14.182 ( -9.081 0.000 8.945) 12.747 14.727 ( -14.469 0.000 12.372) 19.037 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 31.589 0.000 13.337) 34.289 1.739 ( 37.903 0.000 14.069) 40.430 2.593 ( -21.052 0.000 10.795) 23.658 2.727 ( 45.646 0.000 26.741) 52.902 3.112 ( -31.762 0.000 8.127) 32.785 3.340 ( 0.629 0.000 -11.017) 11.035 3.612 ( 4.818 0.000 -14.257) 15.049 3.821 ( -22.237 0.000 0.115) 22.238 4.017 ( 7.503 0.000 -2.893) 8.041 4.356 ( 5.139 0.000 4.873) 7.083 4.528 ( -9.480 0.000 5.707) 11.065 4.880 ( -9.725 0.000 -1.439) 9.831 5.086 ( 15.670 0.000 -2.489) 15.866 5.274 ( -13.494 0.000 2.915) 13.805 5.423 ( -6.105 0.000 2.752) 6.696 5.472 ( 3.702 0.000 -12.593) 13.126 5.628 ( 8.577 0.000 -7.345) 11.292 5.661 ( -5.819 0.000 2.337) 6.271 5.682 ( -17.853 0.000 2.039) 17.969 5.737 ( -3.014 0.000 -4.091) 5.081 6.228 ( 18.395 0.000 -5.594) 19.227 6.397 ( 7.773 0.000 -3.118) 8.375 6.511 ( 13.759 0.000 8.129) 15.981 7.016 ( -7.396 0.000 6.040) 9.548 7.212 ( 0.161 0.000 -8.676) 8.678 7.420 ( -13.491 0.000 -12.032) 18.077 7.488 ( -1.248 0.000 1.383) 1.862 7.612 ( 17.770 0.000 1.551) 17.837 7.827 ( -8.321 0.000 -3.015) 8.850 7.876 ( 5.286 0.000 -4.878) 7.192 8.126 ( -4.961 0.000 0.964) 5.054 8.186 ( -9.386 0.000 1.941) 9.585 8.586 ( 5.898 0.000 -3.725) 6.976 8.744 ( 2.750 0.000 3.079) 4.128 8.905 ( 6.774 0.000 -7.813) 10.341 9.006 ( 5.710 0.000 -0.116) 5.712 9.154 ( -8.163 0.000 -10.300) 13.142 9.229 ( -5.340 0.000 1.144) 5.461 9.461 ( 9.041 0.000 -5.767) 10.724 9.768 ( 0.800 0.000 -5.547) 5.604 9.817 ( 12.325 0.000 -3.706) 12.870 9.868 ( 3.301 0.000 3.671) 4.937 10.006 ( -6.632 0.000 -4.514) 8.022 10.131 ( 0.735 0.000 -7.742) 7.776 10.141 ( 5.055 0.000 -0.096) 5.056 10.313 ( 1.241 0.000 -3.116) 3.354 10.494 ( 4.357 0.000 -4.158) 6.022 10.518 ( -7.090 0.000 -1.978) 7.361 10.553 ( -6.673 0.000 6.823) 9.543 10.761 ( -11.227 0.000 12.538) 16.830 10.970 ( 0.175 0.000 6.106) 6.108 11.188 ( -8.432 0.000 9.844) 12.961 11.710 ( 20.814 0.000 -1.362) 20.858 12.659 ( -21.460 0.000 -6.854) 22.528 13.046 ( 11.706 0.000 -4.397) 12.504 13.155 ( 22.508 0.000 12.888) 25.937 13.641 ( -13.492 0.000 -8.497) 15.945 13.937 ( -16.568 0.000 9.641) 19.169 14.188 ( 10.569 0.000 1.388) 10.660 14.520 ( -8.623 0.000 8.712) 12.258 ======================= Grid point 66 (24/100) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -28.464 0.000 10.933) 30.491 2.117 ( 28.464 0.000 10.933) 30.491 2.452 ( -37.058 0.000 10.092) 38.408 2.452 ( 37.058 0.000 10.092) 38.408 3.451 ( -26.011 0.000 1.354) 26.046 3.451 ( 26.011 0.000 1.354) 26.046 3.476 ( -13.275 0.000 -4.774) 14.108 3.476 ( 13.275 0.000 -4.774) 14.108 4.213 ( -14.926 0.000 3.905) 15.428 4.213 ( 14.926 0.000 3.905) 15.428 4.603 ( -18.353 0.000 3.458) 18.676 4.603 ( 18.353 0.000 3.458) 18.676 5.242 ( -9.604 0.000 2.082) 9.827 5.242 ( 9.604 0.000 2.082) 9.827 5.365 ( -12.638 0.000 -6.163) 14.061 5.365 ( 12.638 0.000 -6.163) 14.061 5.578 ( -2.770 0.000 1.497) 3.148 5.578 ( 2.770 0.000 1.497) 3.148 5.722 ( -2.711 0.000 -5.285) 5.940 5.722 ( 2.711 0.000 -5.285) 5.940 6.465 ( -5.132 0.000 -15.352) 16.187 6.465 ( 5.132 0.000 -15.352) 16.187 6.790 ( -14.718 0.000 6.400) 16.050 6.790 ( 14.718 0.000 6.400) 16.050 7.197 ( -6.331 0.000 -4.460) 7.744 7.197 ( 6.331 0.000 -4.460) 7.744 7.640 ( -11.380 0.000 0.701) 11.402 7.640 ( 11.380 0.000 0.701) 11.402 7.918 ( -12.264 0.000 -2.947) 12.613 7.918 ( 12.264 0.000 -2.947) 12.613 8.027 ( -4.734 0.000 2.832) 5.516 8.027 ( 4.734 0.000 2.832) 5.516 8.706 ( -5.698 0.000 1.354) 5.857 8.706 ( 5.698 0.000 1.354) 5.857 9.024 ( -5.921 0.000 -10.129) 11.733 9.024 ( 5.921 0.000 -10.129) 11.733 9.116 ( -6.094 0.000 1.630) 6.308 9.116 ( 6.094 0.000 1.630) 6.308 9.659 ( -10.647 0.000 -5.083) 11.798 9.659 ( 10.647 0.000 -5.083) 11.798 9.923 ( -3.447 0.000 -4.107) 5.362 9.923 ( 3.447 0.000 -4.107) 5.362 10.027 ( -9.388 0.000 -4.333) 10.340 10.027 ( 9.388 0.000 -4.333) 10.340 10.330 ( -13.603 0.000 11.249) 17.652 10.330 ( 13.603 0.000 11.249) 17.652 10.395 ( -5.862 0.000 -2.833) 6.511 10.395 ( 5.862 0.000 -2.833) 6.511 10.600 ( -6.035 0.000 0.268) 6.041 10.600 ( 6.035 0.000 0.268) 6.041 11.043 ( -6.335 0.000 7.653) 9.934 11.043 ( 6.335 0.000 7.653) 9.934 12.173 ( -26.767 0.000 -3.268) 26.966 12.173 ( 26.767 0.000 -3.268) 26.966 13.348 ( -16.986 0.000 -8.102) 18.819 13.348 ( 16.986 0.000 -8.102) 18.819 13.575 ( -21.322 0.000 10.958) 23.973 13.575 ( 21.322 0.000 10.958) 23.973 14.365 ( -8.410 0.000 4.309) 9.450 14.365 ( 8.410 0.000 4.309) 9.450 ======================= Grid point 70 (25/100) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 27.695 24.153) 36.747 1.191 ( 0.000 27.552 29.896) 40.656 1.861 ( 0.000 47.443 42.000) 63.363 2.903 ( 0.000 7.582 14.572) 16.426 3.417 ( 0.000 -12.974 -7.601) 15.036 3.444 ( 0.000 1.268 -14.812) 14.866 3.679 ( 0.000 -16.574 1.778) 16.669 3.935 ( 0.000 -6.646 7.296) 9.869 4.279 ( 0.000 0.875 -4.696) 4.777 4.453 ( 0.000 4.021 -1.207) 4.199 4.470 ( 0.000 4.460 3.786) 5.850 4.753 ( 0.000 -20.150 -5.023) 20.766 4.888 ( 0.000 -6.810 -4.515) 8.171 5.209 ( 0.000 0.146 6.090) 6.091 5.257 ( 0.000 -3.522 -3.178) 4.744 5.465 ( 0.000 0.296 -7.942) 7.947 5.505 ( 0.000 -4.581 0.923) 4.673 5.832 ( 0.000 3.971 8.698) 9.561 5.862 ( 0.000 1.644 -4.578) 4.865 5.987 ( 0.000 6.116 5.422) 8.174 6.065 ( 0.000 -13.456 1.937) 13.595 6.371 ( 0.000 5.047 -2.480) 5.624 6.582 ( 0.000 10.444 0.558) 10.459 6.902 ( 0.000 -15.970 8.045) 17.882 6.963 ( 0.000 14.314 10.031) 17.478 7.163 ( 0.000 8.108 -10.932) 13.611 7.627 ( 0.000 -10.122 -8.393) 13.149 7.678 ( 0.000 -26.944 -2.907) 27.100 7.899 ( 0.000 1.791 -6.837) 7.068 7.945 ( 0.000 -6.061 1.235) 6.185 7.946 ( 0.000 -1.617 -5.339) 5.579 8.129 ( 0.000 -11.669 8.429) 14.395 8.436 ( 0.000 -12.357 -13.058) 17.977 8.468 ( 0.000 -0.521 -1.887) 1.957 8.655 ( 0.000 3.904 -4.329) 5.830 8.894 ( 0.000 4.426 1.705) 4.743 9.182 ( 0.000 -5.006 3.600) 6.167 9.241 ( 0.000 -2.715 -2.734) 3.853 9.290 ( 0.000 -12.673 -3.509) 13.150 9.296 ( 0.000 -3.189 9.540) 10.059 9.623 ( 0.000 -2.944 -5.064) 5.858 9.783 ( 0.000 -0.812 1.079) 1.350 9.875 ( 0.000 2.685 -3.417) 4.345 10.065 ( 0.000 -0.187 -4.808) 4.812 10.313 ( 0.000 -3.844 -1.711) 4.208 10.365 ( 0.000 11.911 -7.627) 14.144 10.415 ( 0.000 -0.734 -2.171) 2.292 10.597 ( 0.000 -2.793 -1.012) 2.970 10.753 ( 0.000 4.489 -2.934) 5.363 10.826 ( 0.000 0.603 0.062) 0.606 11.212 ( 0.000 -8.165 17.862) 19.640 11.420 ( 0.000 6.349 11.466) 13.106 11.510 ( 0.000 3.833 -8.650) 9.461 12.528 ( 0.000 -2.454 19.749) 19.901 12.656 ( 0.000 6.156 -4.932) 7.888 13.648 ( 0.000 -3.418 -2.613) 4.303 13.664 ( 0.000 8.866 2.018) 9.093 14.085 ( 0.000 13.038 -9.068) 15.882 14.236 ( 0.000 -2.802 8.317) 8.777 15.125 ( 0.000 7.908 -11.377) 13.856 ======================= Grid point 71 (26/100) ======================= q-point: ( 0.17 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 14.191 22.424 19.562) 32.968 1.397 ( 19.891 21.848 25.371) 38.945 2.304 ( 38.441 39.377 32.940) 64.135 2.900 ( -3.999 5.832 11.299) 13.329 3.317 ( -6.502 -6.091 -14.464) 16.988 3.376 ( -11.010 -11.052 -4.152) 16.143 3.621 ( -6.062 -4.017 2.463) 7.678 3.869 ( -1.405 -5.900 2.540) 6.576 4.218 ( -5.737 0.198 -5.385) 7.871 4.335 ( -8.947 0.736 2.145) 9.230 4.544 ( 3.958 2.224 7.304) 8.600 4.775 ( 3.689 -16.744 -3.563) 17.512 4.928 ( 0.275 0.528 0.361) 0.696 5.134 ( 8.501 -7.647 -8.178) 14.058 5.428 ( -1.056 -3.002 -12.016) 12.431 5.494 ( 1.225 -4.205 -2.924) 5.267 5.595 ( 9.341 -2.825 2.897) 10.180 5.759 ( -2.828 3.650 0.992) 4.723 5.866 ( -1.045 0.750 -2.708) 2.997 6.011 ( -2.265 10.186 1.955) 10.616 6.103 ( -14.268 -0.238 5.013) 15.125 6.163 ( 1.458 -2.627 5.958) 6.673 6.438 ( -5.041 5.924 10.806) 13.315 6.864 ( 1.583 -15.063 2.647) 15.375 7.195 ( 2.938 4.317 -9.847) 11.146 7.279 ( 15.618 5.980 -2.590) 16.923 7.461 ( -10.687 -19.603 -1.058) 22.352 7.655 ( -5.379 -14.338 -5.092) 16.139 7.739 ( -3.869 -2.165 -10.705) 11.586 7.908 ( 1.327 5.036 -2.939) 5.980 8.076 ( 0.776 -12.172 6.698) 13.915 8.304 ( 7.767 0.062 -1.243) 7.867 8.449 ( -1.288 -2.390 -1.938) 3.336 8.562 ( 10.750 -10.829 -12.245) 19.564 8.676 ( 1.756 -5.346 -0.615) 5.660 8.948 ( 4.595 5.120 -2.161) 7.211 9.173 ( -1.122 -2.749 1.249) 3.221 9.261 ( -1.017 -6.738 2.323) 7.199 9.300 ( 4.493 -7.991 -5.637) 10.762 9.421 ( 11.342 -7.976 2.328) 14.060 9.660 ( 3.702 -4.665 -4.077) 7.218 9.861 ( 5.681 1.437 -0.715) 5.903 9.869 ( 1.937 -1.312 -0.530) 2.399 10.092 ( 2.028 0.179 -6.795) 7.093 10.297 ( -3.015 5.246 -3.562) 7.022 10.326 ( -2.487 2.908 -4.724) 6.079 10.402 ( -1.252 -0.562 -1.888) 2.335 10.589 ( -1.031 -2.590 0.509) 2.833 10.751 ( -0.839 5.975 -4.490) 7.521 10.836 ( 1.045 0.307 1.668) 1.992 11.051 ( -13.677 -6.595 15.458) 21.668 11.351 ( -8.648 4.074 6.600) 11.616 11.549 ( 7.036 6.336 -1.066) 9.529 12.693 ( 15.737 -4.592 17.422) 23.922 12.777 ( 11.289 7.498 -6.064) 14.847 13.260 ( -22.270 2.038 0.080) 22.363 13.962 ( 9.461 7.853 -1.181) 12.352 14.026 ( -2.654 8.474 -7.510) 11.630 14.160 ( -7.572 -1.837 8.259) 11.355 14.925 ( -15.829 12.080 -1.901) 20.002 ======================= Grid point 72 (27/100) ======================= q-point: ( 0.33 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 29.839 9.781 9.220) 32.727 1.858 ( 27.379 11.906 18.811) 35.287 2.663 ( -19.926 6.751 9.246) 22.980 2.960 ( -26.171 -8.844 5.924) 28.253 3.079 ( 33.549 25.033 14.978) 44.458 3.289 ( 7.420 -0.290 -8.333) 11.162 3.555 ( -6.130 -4.144 -3.852) 8.342 3.852 ( -1.135 -2.246 2.451) 3.513 4.100 ( -1.425 8.647 -6.324) 10.807 4.307 ( 6.362 -4.304 6.611) 10.134 4.589 ( -3.067 3.080 5.447) 6.969 4.742 ( -4.665 -13.744 -0.243) 14.517 5.025 ( 2.073 -5.093 -9.673) 11.126 5.239 ( 2.597 -2.208 -1.391) 3.682 5.345 ( -15.168 0.733 -2.322) 15.363 5.464 ( 0.568 -7.616 -0.280) 7.643 5.494 ( -12.695 -3.904 6.044) 14.592 5.719 ( 4.039 7.943 -4.649) 10.051 5.816 ( -1.780 4.858 -7.604) 9.197 5.882 ( -10.236 8.383 -0.861) 13.259 6.127 ( 17.735 -10.576 1.005) 20.674 6.260 ( 6.190 -4.380 -0.677) 7.614 6.581 ( 12.378 1.936 7.693) 14.702 6.793 ( -8.817 -17.491 -1.412) 19.639 7.144 ( -9.370 -14.849 -4.033) 18.016 7.333 ( -8.321 -1.645 -6.524) 10.701 7.398 ( 4.591 -3.844 -5.873) 8.387 7.596 ( -1.849 -13.371 -3.979) 14.073 7.790 ( 9.448 4.837 -5.288) 11.859 7.972 ( 4.130 3.447 1.322) 5.540 8.054 ( -1.802 -2.885 5.532) 6.494 8.306 ( -6.074 9.938 -0.898) 11.681 8.495 ( 5.774 -10.421 -0.369) 11.919 8.662 ( -1.093 -8.022 5.183) 9.613 8.769 ( 8.743 -11.714 -11.146) 18.382 9.009 ( 0.243 3.346 -3.848) 5.105 9.146 ( -0.962 -0.076 -5.415) 5.501 9.214 ( -3.147 -7.699 4.585) 9.498 9.448 ( 10.682 -0.159 -4.403) 11.555 9.617 ( 7.524 -10.220 -1.450) 12.774 9.736 ( 3.552 -7.235 -4.622) 9.292 9.933 ( 3.372 -1.744 -0.690) 3.858 9.944 ( 1.102 2.055 0.491) 2.383 10.127 ( 1.073 2.190 -8.442) 8.787 10.219 ( -1.390 4.984 -4.450) 6.825 10.302 ( -1.040 -3.135 -0.392) 3.326 10.374 ( -1.448 -0.057 -1.089) 1.813 10.527 ( -6.861 -2.778 8.895) 11.572 10.722 ( -1.489 8.028 -4.079) 9.127 10.799 ( -7.141 4.616 4.295) 9.527 10.884 ( 1.016 -5.549 3.873) 6.843 11.143 ( -11.624 -1.671 6.702) 13.521 11.808 ( 19.832 7.380 -0.238) 21.162 12.739 ( -23.501 6.221 -4.091) 24.652 13.050 ( 19.462 -7.549 13.524) 24.872 13.105 ( 13.669 4.185 -2.727) 14.553 13.820 ( -11.876 14.231 -7.951) 20.169 13.919 ( -14.686 -0.865 8.041) 16.766 14.244 ( 11.603 4.652 1.197) 12.558 14.657 ( -12.106 10.504 2.856) 16.280 ======================= Grid point 73 (28/100) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -27.805 5.845 6.594) 29.168 2.182 ( 27.805 5.845 6.594) 29.168 2.407 ( -28.407 0.944 12.584) 31.084 2.407 ( 28.407 0.944 12.584) 31.084 3.358 ( -10.691 -5.243 -5.716) 13.208 3.358 ( 10.691 -5.243 -5.716) 13.208 3.734 ( -17.356 15.009 -0.733) 22.957 3.734 ( 17.356 15.009 -0.733) 22.957 4.254 ( -17.567 5.289 5.803) 19.242 4.254 ( 17.567 5.289 5.803) 19.242 4.604 ( -13.971 -0.906 6.883) 15.601 4.604 ( 13.971 -0.906 6.883) 15.601 5.021 ( -5.922 -11.748 -1.861) 13.287 5.021 ( 5.922 -11.748 -1.861) 13.287 5.367 ( -5.802 -6.072 -4.436) 9.498 5.367 ( 5.802 -6.072 -4.436) 9.498 5.591 ( -11.283 4.280 2.071) 12.244 5.591 ( 11.283 4.280 2.071) 12.244 5.836 ( -2.008 6.295 -5.397) 8.531 5.836 ( 2.008 6.295 -5.397) 8.531 6.360 ( -3.401 -9.308 -7.977) 12.722 6.360 ( 3.401 -9.308 -7.977) 12.722 6.668 ( -1.831 -10.864 0.573) 11.032 6.668 ( 1.831 -10.864 0.573) 11.032 7.118 ( -9.454 -4.794 -2.083) 10.803 7.118 ( 9.454 -4.794 -2.083) 10.803 7.527 ( -6.140 -9.453 -2.159) 11.477 7.527 ( 6.140 -9.453 -2.159) 11.477 7.941 ( -5.784 -3.243 -1.576) 6.816 7.941 ( 5.784 -3.243 -1.576) 6.816 8.150 ( -9.397 12.806 2.277) 16.046 8.150 ( 9.397 12.806 2.277) 16.046 8.602 ( -4.862 -11.736 3.485) 13.173 8.602 ( 4.862 -11.736 3.485) 13.173 8.927 ( -7.527 -3.991 -10.542) 13.554 8.927 ( 7.527 -3.991 -10.542) 13.554 9.163 ( -2.173 -1.168 1.930) 3.132 9.163 ( 2.173 -1.168 1.930) 3.132 9.646 ( -6.508 -2.573 -3.044) 7.632 9.646 ( 6.508 -2.573 -3.044) 7.632 9.809 ( -6.205 -4.510 -4.871) 9.087 9.809 ( 6.205 -4.510 -4.871) 9.087 10.080 ( -5.879 2.204 -1.861) 6.549 10.080 ( 5.879 2.204 -1.861) 6.549 10.268 ( -3.431 -3.911 -1.423) 5.394 10.268 ( 3.431 -3.911 -1.423) 5.394 10.384 ( -4.612 0.389 7.048) 8.432 10.384 ( 4.612 0.389 7.048) 8.432 10.723 ( -1.658 8.783 -3.465) 9.586 10.723 ( 1.658 8.783 -3.465) 9.586 10.961 ( -6.979 -5.560 6.188) 10.859 10.961 ( 6.979 -5.560 6.188) 10.859 12.252 ( -25.988 6.264 -1.787) 26.792 12.252 ( 25.988 6.264 -1.787) 26.792 13.310 ( -1.514 -4.347 2.761) 5.368 13.310 ( 1.514 -4.347 2.761) 5.368 13.675 ( -4.249 9.687 1.222) 10.648 13.675 ( 4.249 9.687 1.222) 10.648 14.450 ( -10.486 7.072 2.320) 12.859 14.450 ( 10.486 7.072 2.320) 12.859 ======================= Grid point 77 (29/100) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 30.823 14.439) 34.038 1.710 ( 0.000 25.359 27.992) 37.771 2.991 ( 0.000 44.496 13.084) 46.380 3.097 ( 0.000 10.435 11.881) 15.813 3.126 ( 0.000 -1.281 2.281) 2.616 3.425 ( 0.000 -4.089 -12.805) 13.442 3.471 ( 0.000 -3.857 5.590) 6.792 3.887 ( 0.000 3.349 7.496) 8.211 4.270 ( 0.000 -0.622 -3.112) 3.174 4.349 ( 0.000 -17.278 -5.795) 18.223 4.521 ( 0.000 0.803 -11.500) 11.528 4.539 ( 0.000 1.340 3.641) 3.879 4.730 ( 0.000 -6.868 0.484) 6.885 5.198 ( 0.000 -3.605 0.203) 3.611 5.214 ( 0.000 1.397 4.873) 5.069 5.345 ( 0.000 -7.817 9.115) 12.008 5.376 ( 0.000 -10.399 2.339) 10.659 5.680 ( 0.000 -12.841 0.160) 12.842 5.975 ( 0.000 1.277 -3.252) 3.494 5.981 ( 0.000 7.895 0.358) 7.903 6.079 ( 0.000 2.573 1.739) 3.105 6.452 ( 0.000 -3.582 -4.586) 5.819 6.486 ( 0.000 -16.529 0.302) 16.532 6.908 ( 0.000 10.331 -2.858) 10.719 6.951 ( 0.000 -28.816 -2.916) 28.964 7.138 ( 0.000 -29.779 -1.426) 29.813 7.232 ( 0.000 -7.949 -8.396) 11.562 7.350 ( 0.000 17.862 5.031) 18.557 7.756 ( 0.000 -5.991 0.724) 6.035 7.828 ( 0.000 -2.240 -12.058) 12.264 8.051 ( 0.000 3.158 5.330) 6.195 8.085 ( 0.000 5.338 -2.765) 6.012 8.150 ( 0.000 -19.500 -9.173) 21.550 8.480 ( 0.000 1.370 0.067) 1.372 8.713 ( 0.000 3.181 4.700) 5.675 8.794 ( 0.000 -12.635 10.432) 16.385 9.072 ( 0.000 -5.963 2.026) 6.298 9.107 ( 0.000 0.176 -10.854) 10.855 9.200 ( 0.000 -2.904 -0.898) 3.040 9.335 ( 0.000 2.777 5.656) 6.301 9.525 ( 0.000 -4.658 -5.404) 7.134 9.778 ( 0.000 0.181 0.779) 0.800 9.960 ( 0.000 4.040 -5.696) 6.984 10.034 ( 0.000 -2.766 -2.817) 3.948 10.250 ( 0.000 -3.016 -1.810) 3.518 10.263 ( 0.000 -10.940 -1.797) 11.086 10.547 ( 0.000 4.469 -6.283) 7.710 10.560 ( 0.000 -0.488 -5.102) 5.125 10.864 ( 0.000 6.847 -1.413) 6.991 10.927 ( 0.000 7.027 -8.243) 10.832 11.063 ( 0.000 -4.904 8.153) 9.514 11.545 ( 0.000 -0.252 -4.687) 4.694 11.651 ( 0.000 14.797 5.244) 15.698 12.563 ( 0.000 6.976 25.060) 26.013 12.751 ( 0.000 1.624 4.328) 4.622 13.533 ( 0.000 -7.697 -3.467) 8.441 13.851 ( 0.000 8.414 0.251) 8.417 14.166 ( 0.000 -3.779 6.483) 7.504 14.410 ( 0.000 17.336 -8.737) 19.413 15.208 ( 0.000 0.795 -10.482) 10.512 ======================= Grid point 78 (30/100) ======================= q-point: ( 0.17 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 7.249 28.212 14.015) 32.325 1.889 ( 13.665 26.233 20.442) 35.955 3.038 ( -3.126 3.895 4.506) 6.727 3.069 ( -3.511 -2.269 3.740) 5.609 3.252 ( -5.748 6.980 -7.709) 11.882 3.330 ( 19.284 39.193 14.310) 45.965 3.547 ( 1.254 -4.094 1.493) 4.534 3.767 ( -7.948 -1.877 6.833) 10.648 4.212 ( -4.755 -1.718 2.167) 5.500 4.306 ( -1.669 -11.353 -5.334) 12.654 4.443 ( -4.158 -3.710 -4.257) 7.012 4.606 ( -1.831 2.671 7.231) 7.923 4.906 ( 14.793 -6.734 0.806) 16.274 5.014 ( 0.169 -0.927 -10.816) 10.857 5.253 ( -3.495 -12.741 -0.184) 13.213 5.319 ( -2.984 -9.607 1.360) 10.151 5.584 ( 13.466 -2.958 5.918) 15.004 5.723 ( 3.832 -5.585 -1.620) 6.964 5.892 ( -3.867 5.599 -5.539) 8.774 6.108 ( 3.588 -1.470 1.881) 4.310 6.133 ( 5.505 1.684 2.547) 6.295 6.258 ( -14.565 0.745 -0.930) 14.614 6.511 ( 0.440 -16.598 -2.447) 16.783 6.571 ( -21.059 5.232 9.646) 23.746 6.923 ( -5.322 -13.674 -1.629) 14.763 7.170 ( 0.929 -20.110 -3.795) 20.486 7.247 ( 2.713 -19.764 -4.492) 20.449 7.472 ( 2.378 7.239 -6.727) 10.164 7.731 ( -3.351 1.111 -9.220) 9.872 7.786 ( 3.425 -5.484 -0.731) 6.507 8.092 ( 6.542 2.052 0.654) 6.887 8.171 ( 2.062 -16.484 -3.995) 17.086 8.269 ( 8.661 -4.552 -2.034) 9.993 8.480 ( 0.321 1.847 0.347) 1.907 8.647 ( -3.305 0.561 6.021) 6.892 8.873 ( 4.431 -13.007 6.667) 15.272 9.108 ( 1.638 1.545 -4.728) 5.237 9.119 ( 2.584 -2.879 -3.431) 5.171 9.243 ( 5.074 -3.196 -0.317) 6.005 9.375 ( 4.502 0.835 3.733) 5.907 9.546 ( 2.247 -4.202 -6.396) 7.976 9.814 ( 3.157 -0.942 1.403) 3.581 9.973 ( 1.981 4.302 -4.700) 6.673 10.074 ( 3.531 -2.244 -3.558) 5.492 10.249 ( -0.170 -3.781 -2.243) 4.399 10.270 ( 0.735 -9.263 -1.263) 9.377 10.490 ( -5.141 4.341 -5.849) 8.916 10.543 ( -2.582 -1.222 -2.622) 3.877 10.860 ( -2.918 2.362 1.310) 3.976 10.916 ( -1.817 5.575 -3.399) 6.777 10.990 ( -2.450 4.780 -0.395) 5.386 11.513 ( -12.860 10.421 -8.454) 18.586 11.664 ( 10.551 5.332 8.643) 14.644 12.636 ( 9.572 0.036 24.160) 25.987 12.911 ( 13.451 3.625 2.940) 14.238 13.263 ( -20.953 -1.752 -2.048) 21.126 14.033 ( 7.406 2.007 -0.244) 7.677 14.123 ( -0.351 -1.315 5.116) 5.294 14.341 ( -6.661 17.671 -8.209) 20.592 15.085 ( -11.519 3.571 -7.406) 14.152 ======================= Grid point 79 (31/100) ======================= q-point: ( 0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 18.863 23.228 5.809) 30.481 2.200 ( 18.524 20.611 15.514) 31.759 2.814 ( -19.317 4.288 0.014) 19.788 2.901 ( -14.469 7.965 8.698) 18.667 3.160 ( 0.276 -2.500 -10.134) 10.441 3.474 ( -9.852 -3.178 -0.891) 10.390 3.667 ( 7.660 1.729 2.960) 8.392 3.883 ( 17.096 22.010 11.160) 30.021 4.192 ( 7.432 -0.604 9.237) 11.871 4.338 ( 4.687 7.321 -3.600) 9.409 4.360 ( -0.754 -16.743 3.021) 17.030 4.551 ( -2.221 -5.717 7.106) 9.387 5.006 ( -8.648 0.115 -11.512) 14.398 5.149 ( 5.182 -4.592 -6.143) 9.256 5.224 ( 5.660 -7.684 -3.434) 10.143 5.316 ( 6.695 -7.485 2.206) 10.281 5.686 ( -25.019 12.850 3.603) 28.356 5.786 ( 2.636 -6.532 -0.590) 7.069 5.820 ( 5.899 0.529 -5.788) 8.281 5.928 ( -8.986 -6.453 1.845) 11.216 6.009 ( -4.389 4.373 1.154) 6.302 6.229 ( 2.942 -2.390 -1.052) 3.934 6.420 ( -3.268 -14.484 -0.563) 14.858 6.614 ( 8.797 1.423 8.433) 12.269 6.797 ( -3.145 -12.911 -0.978) 13.324 7.168 ( -1.226 -15.011 -3.548) 15.473 7.255 ( -3.128 -15.837 -0.776) 16.162 7.393 ( -7.069 -3.693 -4.408) 9.112 7.778 ( 7.157 -6.136 -11.866) 15.155 7.876 ( 4.879 -1.268 -5.136) 7.197 8.148 ( -1.046 -16.172 -0.407) 16.211 8.237 ( -0.522 -10.410 3.218) 10.908 8.335 ( 3.640 0.651 2.876) 4.685 8.493 ( -0.597 2.134 2.613) 3.426 8.660 ( 5.498 -2.076 -1.849) 6.160 8.893 ( -2.532 -14.285 1.803) 14.620 9.139 ( 2.092 5.878 -3.091) 6.963 9.166 ( 1.417 0.358 -1.230) 1.910 9.386 ( 8.379 -7.594 0.058) 11.308 9.485 ( 4.943 -4.562 -0.680) 6.761 9.623 ( 7.294 0.183 -6.693) 9.901 9.862 ( 0.879 -2.080 0.997) 2.469 10.036 ( 4.215 3.173 -3.685) 6.436 10.147 ( 3.407 -1.043 -3.646) 5.097 10.239 ( -1.177 -2.561 -5.097) 5.824 10.292 ( 1.850 -6.688 0.801) 6.985 10.370 ( -6.870 6.256 -3.585) 9.960 10.456 ( -6.166 -3.040 5.171) 8.602 10.773 ( -2.032 0.056 1.320) 2.423 10.893 ( -1.418 4.608 -2.303) 5.343 10.991 ( 0.487 13.184 -5.654) 14.354 11.215 ( -16.081 9.130 -3.548) 18.830 11.949 ( 19.298 5.839 3.717) 20.502 12.827 ( -22.935 0.305 0.195) 22.938 12.904 ( 15.269 -5.625 18.185) 24.402 13.161 ( 10.406 0.383 3.436) 10.965 13.933 ( -7.592 3.454 2.770) 8.789 14.122 ( -10.826 12.302 -7.684) 18.100 14.359 ( 11.862 7.307 -0.512) 13.942 14.839 ( -13.426 6.040 -3.071) 15.039 ======================= Grid point 80 (32/100) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -21.072 14.130 2.136) 25.461 2.375 ( 21.072 14.130 2.136) 25.461 2.581 ( -16.805 14.157 10.553) 24.376 2.581 ( 16.805 14.157 10.553) 24.376 3.261 ( -9.806 -3.372 -5.377) 11.681 3.261 ( 9.806 -3.372 -5.377) 11.681 3.857 ( -10.288 -1.934 2.887) 10.859 3.857 ( 10.288 -1.934 2.887) 10.859 4.357 ( -1.196 -8.905 0.641) 9.007 4.357 ( 1.196 -8.905 0.641) 9.007 4.534 ( -4.143 3.754 5.993) 8.196 4.534 ( 4.143 3.754 5.993) 8.196 5.017 ( -19.565 12.029 0.210) 22.968 5.017 ( 19.565 12.029 0.210) 22.968 5.287 ( -5.860 1.260 -0.763) 6.042 5.287 ( 5.860 1.260 -0.763) 6.042 5.566 ( -14.766 -8.499 0.634) 17.049 5.566 ( 14.766 -8.499 0.634) 17.049 5.931 ( -3.618 2.950 -6.393) 7.916 5.931 ( 3.618 2.950 -6.393) 7.916 6.103 ( -12.313 -15.049 0.089) 19.445 6.103 ( 12.313 -15.049 0.089) 19.445 6.515 ( -10.624 -1.422 -1.639) 10.843 6.515 ( 10.624 -1.422 -1.639) 10.843 6.999 ( -14.680 -9.110 3.321) 17.593 6.999 ( 14.680 -9.110 3.321) 17.593 7.277 ( -4.914 -11.868 -1.745) 12.963 7.277 ( 4.914 -11.868 -1.745) 12.963 7.907 ( -3.675 -2.531 -10.881) 11.760 7.907 ( 3.675 -2.531 -10.881) 11.760 8.152 ( -3.660 -18.802 4.523) 19.682 8.152 ( 3.660 -18.802 4.523) 19.682 8.437 ( -4.784 3.327 3.242) 6.668 8.437 ( 4.784 3.327 3.242) 6.668 8.796 ( -7.152 -8.114 -2.373) 11.073 8.796 ( 7.152 -8.114 -2.373) 11.073 9.170 ( -0.880 3.481 -0.950) 3.714 9.170 ( 0.880 3.481 -0.950) 3.714 9.499 ( -3.020 -8.967 -1.472) 9.576 9.499 ( 3.020 -8.967 -1.472) 9.576 9.802 ( -8.074 0.840 -4.054) 9.073 9.802 ( 8.074 0.840 -4.054) 9.073 10.123 ( -5.048 1.018 -4.124) 6.598 10.123 ( 5.048 1.018 -4.124) 6.598 10.261 ( -4.330 1.935 -2.520) 5.371 10.261 ( 4.330 1.935 -2.520) 5.371 10.352 ( -4.326 -2.310 4.892) 6.927 10.352 ( 4.326 -2.310 4.892) 6.927 10.822 ( -5.790 0.593 -0.941) 5.896 10.822 ( 5.790 0.593 -0.941) 5.896 11.016 ( -3.901 12.190 -4.109) 13.443 11.016 ( 3.901 12.190 -4.109) 13.443 12.367 ( -24.111 4.061 1.079) 24.474 12.367 ( 24.111 4.061 1.079) 24.474 13.179 ( -9.635 -7.874 12.198) 17.425 13.179 ( 9.635 -7.874 12.198) 17.425 13.919 ( -7.505 12.710 -4.842) 15.534 13.919 ( 7.505 12.710 -4.842) 15.534 14.594 ( -12.636 6.008 -1.000) 14.027 14.594 ( 12.636 6.008 -1.000) 14.027 ======================= Grid point 84 (33/100) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 0.000 26.063 19.171) 32.354 2.278 ( 0.000 24.539 9.184) 26.201 2.841 ( 0.000 -8.574 3.008) 9.086 3.188 ( 0.000 -12.533 2.033) 12.696 3.349 ( 0.000 6.132 5.093) 7.971 3.461 ( 0.000 1.795 3.971) 4.358 3.952 ( 0.000 -1.890 -3.183) 3.702 3.974 ( 0.000 14.635 4.050) 15.185 4.244 ( 0.000 12.336 -1.400) 12.415 4.371 ( 0.000 13.777 -2.415) 13.987 4.494 ( 0.000 11.326 -0.207) 11.327 4.527 ( 0.000 -1.643 2.019) 2.603 4.717 ( 0.000 4.305 -5.522) 7.001 4.990 ( 0.000 -18.757 6.885) 19.980 5.082 ( 0.000 -4.542 3.849) 5.953 5.257 ( 0.000 -1.846 13.432) 13.558 5.356 ( 0.000 8.264 7.847) 11.396 5.562 ( 0.000 -1.353 -3.269) 3.538 5.826 ( 0.000 -26.098 -2.712) 26.239 5.901 ( 0.000 -18.103 -5.919) 19.046 6.070 ( 0.000 -4.115 -3.208) 5.218 6.103 ( 0.000 -6.462 3.159) 7.193 6.275 ( 0.000 -11.119 2.382) 11.371 6.589 ( 0.000 -0.841 -1.016) 1.319 6.612 ( 0.000 -26.677 -8.320) 27.944 6.980 ( 0.000 -1.426 -6.319) 6.478 7.194 ( 0.000 8.788 -5.078) 10.149 7.607 ( 0.000 -22.464 0.110) 22.464 7.728 ( 0.000 6.805 -3.418) 7.615 7.773 ( 0.000 6.086 -5.248) 8.036 7.775 ( 0.000 -2.769 -11.224) 11.560 8.119 ( 0.000 -2.165 -5.676) 6.075 8.207 ( 0.000 11.144 11.158) 15.769 8.498 ( 0.000 -0.461 5.716) 5.734 8.641 ( 0.000 -1.774 3.915) 4.298 8.787 ( 0.000 2.286 11.276) 11.506 8.964 ( 0.000 -3.558 -4.023) 5.371 9.106 ( 0.000 -3.106 -4.520) 5.485 9.152 ( 0.000 -0.469 -5.649) 5.669 9.250 ( 0.000 -7.426 0.872) 7.477 9.555 ( 0.000 5.294 -4.381) 6.871 9.772 ( 0.000 -1.782 1.775) 2.516 9.954 ( 0.000 -4.942 -4.360) 6.591 9.966 ( 0.000 -3.440 -0.320) 3.455 10.121 ( 0.000 -0.811 -3.844) 3.928 10.186 ( 0.000 -2.983 -1.679) 3.423 10.563 ( 0.000 0.348 -6.117) 6.127 10.577 ( 0.000 -0.232 -5.184) 5.189 11.009 ( 0.000 4.381 -2.144) 4.878 11.044 ( 0.000 3.629 -11.092) 11.671 11.066 ( 0.000 7.485 -1.851) 7.711 11.463 ( 0.000 -7.216 -8.200) 10.923 12.008 ( 0.000 18.977 12.254) 22.590 12.674 ( 0.000 -9.538 10.789) 14.401 12.795 ( 0.000 14.445 20.409) 25.004 13.347 ( 0.000 -10.512 0.463) 10.522 13.984 ( 0.000 4.605 -1.220) 4.764 14.096 ( 0.000 -2.869 2.663) 3.915 14.749 ( 0.000 15.256 -8.546) 17.486 15.167 ( 0.000 -4.755 -9.139) 10.302 ======================= Grid point 85 (34/100) ======================= q-point: ( 0.17 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 5.499 24.876 9.540) 27.204 2.409 ( 10.311 22.907 13.252) 28.402 2.867 ( 2.477 -6.928 2.256) 7.696 3.195 ( -0.809 -2.960 -3.433) 4.604 3.288 ( -6.219 5.363 3.889) 9.087 3.430 ( -0.979 -5.481 4.769) 7.331 3.770 ( -11.535 -1.681 0.540) 11.670 4.032 ( -8.283 -0.205 -1.534) 8.426 4.235 ( 5.797 11.408 10.593) 16.612 4.362 ( -2.413 27.167 0.055) 27.274 4.455 ( 5.336 4.520 -2.956) 7.592 4.624 ( -0.085 0.454 5.095) 5.116 4.797 ( 6.107 -1.840 0.735) 6.420 4.982 ( -0.702 -8.588 -0.872) 8.661 5.040 ( -1.334 -1.205 3.799) 4.203 5.164 ( 5.030 0.389 1.103) 5.164 5.499 ( 3.569 -3.590 -2.297) 5.559 5.698 ( 1.769 -11.290 1.564) 11.535 5.730 ( 0.395 -13.866 4.946) 14.727 5.905 ( 0.033 -14.321 -7.033) 15.955 6.085 ( -0.676 -4.162 -0.093) 4.217 6.136 ( 6.709 -2.842 -0.958) 7.349 6.363 ( 7.348 -2.865 3.659) 8.694 6.563 ( -4.018 -14.730 -7.545) 17.030 6.679 ( 5.689 -18.660 -0.637) 19.518 6.862 ( -11.323 4.725 -0.833) 12.298 7.077 ( -8.189 6.662 0.046) 10.556 7.479 ( -10.149 -8.812 -1.018) 13.479 7.638 ( -4.652 -15.985 -2.119) 16.782 7.720 ( -2.163 -5.004 -6.186) 8.245 7.905 ( 1.196 7.514 -12.346) 14.502 8.107 ( 3.594 -0.234 -0.582) 3.648 8.338 ( 6.396 4.216 0.396) 7.671 8.505 ( 1.386 2.252 7.102) 7.579 8.640 ( -0.443 -1.092 4.730) 4.874 8.726 ( -3.967 -3.745 8.745) 10.307 9.007 ( 4.467 -4.275 -3.096) 6.915 9.144 ( 3.006 -1.375 -5.648) 6.544 9.227 ( 5.903 -0.919 -1.561) 6.175 9.304 ( 6.442 -2.064 -3.092) 7.438 9.576 ( 2.430 4.405 -3.713) 6.253 9.794 ( 2.042 -2.126 1.927) 3.522 9.980 ( 2.571 -4.157 -3.482) 6.001 10.011 ( 4.531 -2.813 -1.423) 5.520 10.116 ( -0.213 -2.742 -2.565) 3.760 10.202 ( 1.588 -1.571 -2.265) 3.181 10.509 ( -4.895 -0.220 -4.936) 6.955 10.540 ( -3.862 -0.269 -3.991) 5.560 10.915 ( -6.839 3.597 -2.018) 7.986 11.007 ( -0.947 3.801 -2.910) 4.880 11.171 ( 6.555 9.542 -10.119) 15.376 11.590 ( 6.879 -3.091 -20.979) 22.294 11.884 ( -7.632 14.804 19.451) 25.607 12.671 ( 2.888 0.303 23.819) 23.996 12.897 ( 4.419 -2.130 7.515) 8.974 13.218 ( -9.748 -2.512 4.345) 10.964 14.061 ( -0.151 1.090 0.194) 1.117 14.107 ( 7.322 -0.584 -0.935) 7.405 14.684 ( -6.274 15.251 -7.899) 18.285 15.083 ( -8.363 -3.571 -7.870) 12.026 ======================= Grid point 86 (35/100) ======================= q-point: ( 0.33 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 12.388 20.298 2.819) 23.946 2.625 ( 11.717 17.893 9.931) 23.581 2.884 ( -2.666 2.569 2.206) 4.310 3.114 ( -11.678 8.901 4.749) 15.433 3.168 ( -0.142 3.274 -9.426) 9.979 3.405 ( -5.538 -4.995 -1.659) 7.640 3.653 ( 1.826 0.269 4.790) 5.134 3.866 ( -1.481 -10.424 5.040) 11.673 4.101 ( -11.667 -0.367 4.528) 12.521 4.382 ( -18.966 -3.328 7.677) 20.730 4.559 ( 5.706 8.126 -1.951) 10.119 4.627 ( 13.315 15.704 8.824) 22.401 4.946 ( 10.121 -6.215 -4.279) 12.624 5.070 ( 5.212 -6.864 -8.445) 12.067 5.163 ( 13.223 9.824 5.021) 17.221 5.255 ( 5.039 3.775 -4.182) 7.558 5.489 ( -5.848 -19.108 3.075) 20.218 5.639 ( 3.599 -3.002 -4.015) 6.171 5.812 ( -1.459 -14.210 -2.380) 14.482 5.915 ( 2.144 0.424 -3.790) 4.375 6.053 ( -3.668 -4.294 -1.494) 5.842 6.180 ( -17.268 11.927 2.045) 21.086 6.382 ( 6.151 5.653 0.520) 8.370 6.568 ( 3.685 -14.414 -2.249) 15.046 6.680 ( 2.496 -8.724 8.888) 12.702 6.792 ( -2.929 -4.225 4.461) 6.806 7.012 ( 3.684 -5.340 2.282) 6.877 7.296 ( -9.051 -7.948 2.811) 12.369 7.533 ( -3.713 -16.228 -3.389) 16.989 7.676 ( -4.300 -17.895 -3.617) 18.756 7.919 ( 1.943 4.077 -12.470) 13.263 8.099 ( -4.694 -3.585 -5.748) 8.242 8.410 ( 1.581 -1.234 -2.442) 3.160 8.504 ( -3.761 0.354 5.634) 6.783 8.638 ( 4.038 0.505 5.923) 7.187 8.724 ( 1.424 -3.020 5.695) 6.601 9.108 ( 5.259 -4.993 -2.362) 7.627 9.186 ( 1.059 -3.195 -3.741) 5.033 9.336 ( 5.811 1.757 -1.935) 6.371 9.434 ( 3.876 3.690 -8.621) 10.146 9.671 ( 8.092 1.977 -1.814) 8.525 9.830 ( 1.060 -1.799 0.991) 2.311 10.038 ( 3.272 -4.979 -1.035) 6.048 10.087 ( 1.106 -0.734 -3.486) 3.730 10.153 ( 5.685 -3.994 0.788) 6.992 10.239 ( 1.795 -0.015 -3.653) 4.071 10.413 ( -4.422 -0.163 -1.516) 4.677 10.449 ( -5.218 0.599 -2.581) 5.852 10.821 ( -1.816 3.691 -3.286) 5.265 10.993 ( -1.920 4.651 -1.331) 5.205 11.260 ( 2.179 11.615 -11.834) 16.724 11.438 ( -14.793 10.036 -15.996) 23.988 12.036 ( 17.945 2.843 9.891) 20.686 12.757 ( -12.960 -4.876 5.933) 15.065 12.812 ( 7.119 -4.276 19.214) 20.932 13.138 ( -1.671 -1.800 13.821) 14.038 14.047 ( 1.423 6.840 -2.498) 7.420 14.237 ( 1.850 -0.008 -5.388) 5.697 14.576 ( -1.727 12.289 -4.680) 13.263 14.887 ( -11.492 -1.304 -5.241) 12.698 ======================= Grid point 87 (36/100) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -11.135 12.227 1.330) 16.591 2.682 ( 11.135 12.227 1.330) 16.591 2.892 ( -10.302 14.244 5.711) 18.483 2.892 ( 10.302 14.244 5.711) 18.483 3.240 ( -8.207 0.794 -5.491) 9.907 3.240 ( 8.207 0.794 -5.491) 9.907 3.827 ( -12.919 2.542 4.341) 13.864 3.827 ( 12.919 2.542 4.341) 13.864 4.046 ( -14.011 -14.773 6.610) 21.407 4.046 ( 14.011 -14.773 6.610) 21.407 4.665 ( -4.648 6.433 0.810) 7.977 4.665 ( 4.648 6.433 0.810) 7.977 5.108 ( -2.797 -9.274 -8.083) 12.616 5.108 ( 2.797 -9.274 -8.083) 12.616 5.365 ( -5.856 -4.554 0.028) 7.419 5.365 ( 5.856 -4.554 0.028) 7.419 5.542 ( -22.145 13.522 3.720) 26.212 5.542 ( 22.145 13.522 3.720) 26.212 5.817 ( -10.193 -2.312 -2.173) 10.675 5.817 ( 10.193 -2.312 -2.173) 10.675 5.985 ( -4.601 -0.182 -0.625) 4.647 5.985 ( 4.601 -0.182 -0.625) 4.647 6.540 ( -6.399 -2.938 -0.871) 7.095 6.540 ( 6.399 -2.938 -0.871) 7.095 6.741 ( -1.029 -8.684 6.858) 11.113 6.741 ( 1.029 -8.684 6.858) 11.113 7.135 ( -8.044 -4.365 5.105) 10.480 7.135 ( 8.044 -4.365 5.105) 10.480 7.562 ( -6.119 -22.853 -2.730) 23.815 7.562 ( 6.119 -22.853 -2.730) 23.815 7.990 ( -5.441 -0.495 -10.005) 11.399 7.990 ( 5.441 -0.495 -10.005) 11.399 8.438 ( -2.280 -3.250 0.414) 3.992 8.438 ( 2.280 -3.250 0.414) 3.992 8.717 ( -2.582 0.153 5.624) 6.190 8.717 ( 2.582 0.153 5.624) 6.190 9.178 ( -2.006 -4.377 -2.343) 5.355 9.178 ( 2.006 -4.377 -2.343) 5.355 9.429 ( -3.360 3.443 -5.895) 7.609 9.429 ( 3.360 3.444 -5.895) 7.609 9.807 ( -4.254 -0.210 -1.898) 4.663 9.807 ( 4.254 -0.210 -1.898) 4.663 10.086 ( -1.216 -4.201 -0.654) 4.422 10.086 ( 1.216 -4.201 -0.654) 4.422 10.244 ( -2.107 -1.095 -1.215) 2.668 10.244 ( 2.107 -1.095 -1.215) 2.668 10.375 ( -1.333 1.739 -1.394) 2.597 10.375 ( 1.333 1.739 -1.394) 2.597 10.884 ( -7.800 4.829 -3.393) 9.781 10.884 ( 7.800 4.829 -3.393) 9.781 11.278 ( -1.918 11.336 -11.486) 16.251 11.278 ( 1.918 11.336 -11.486) 16.251 12.406 ( -20.156 0.091 3.422) 20.445 12.406 ( 20.156 0.091 3.422) 20.445 13.022 ( -10.421 -6.613 19.228) 22.848 13.022 ( 10.421 -6.613 19.228) 22.848 14.144 ( -7.886 8.502 -6.417) 13.253 14.144 ( 7.886 8.502 -6.417) 13.253 14.678 ( -9.952 2.274 -3.144) 10.682 14.678 ( 9.952 2.274 -3.144) 10.682 ======================= Grid point 91 (37/100) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 0.000 -9.236 7.687) 12.016 2.648 ( 0.000 9.236 7.687) 12.016 2.774 ( 0.000 -21.933 8.786) 23.627 2.774 ( 0.000 21.933 8.786) 23.627 3.479 ( 0.000 -2.314 4.955) 5.469 3.479 ( 0.000 2.314 4.955) 5.469 3.934 ( 0.000 -1.535 -9.182) 9.310 3.934 ( 0.000 1.535 -9.182) 9.310 4.461 ( 0.000 -2.095 6.110) 6.459 4.461 ( 0.000 2.095 6.110) 6.459 4.661 ( 0.000 -18.750 -0.286) 18.752 4.661 ( 0.000 18.750 -0.286) 18.752 4.744 ( 0.000 -4.070 3.918) 5.649 4.744 ( 0.000 4.070 3.918) 5.649 5.288 ( 0.000 -18.502 0.820) 18.520 5.288 ( 0.000 18.502 0.820) 18.520 5.443 ( 0.000 -13.540 6.709) 15.111 5.443 ( 0.000 13.540 6.709) 15.111 5.593 ( 0.000 -5.043 -0.231) 5.048 5.593 ( 0.000 5.043 -0.231) 5.048 5.998 ( 0.000 -10.091 -4.638) 11.106 5.998 ( 0.000 10.091 -4.638) 11.106 6.128 ( 0.000 -0.013 2.480) 2.480 6.128 ( 0.000 0.013 2.480) 2.480 6.864 ( 0.000 -16.413 -8.325) 18.403 6.864 ( 0.000 16.413 -8.325) 18.403 7.284 ( 0.000 -2.031 -0.423) 2.075 7.284 ( 0.000 2.031 -0.423) 2.075 7.752 ( 0.000 -0.046 -11.831) 11.831 7.752 ( 0.000 0.046 -11.831) 11.831 7.999 ( 0.000 -8.117 -4.353) 9.210 7.999 ( 0.000 8.117 -4.353) 9.210 8.425 ( 0.000 -7.312 13.608) 15.448 8.425 ( 0.000 7.312 13.608) 15.448 8.703 ( 0.000 -6.855 5.956) 9.081 8.703 ( 0.000 6.855 5.956) 9.081 9.006 ( 0.000 -4.599 -5.576) 7.228 9.006 ( 0.000 4.599 -5.576) 7.228 9.159 ( 0.000 -0.792 -3.602) 3.688 9.159 ( 0.000 0.792 -3.602) 3.688 9.676 ( 0.000 -6.227 -2.353) 6.657 9.676 ( 0.000 6.227 -2.353) 6.657 9.913 ( 0.000 -1.174 -0.021) 1.174 9.913 ( 0.000 1.174 -0.021) 1.174 10.139 ( 0.000 -1.292 -3.068) 3.330 10.139 ( 0.000 1.292 -3.068) 3.330 10.569 ( 0.000 -0.199 -5.772) 5.776 10.569 ( 0.000 0.199 -5.772) 5.776 11.065 ( 0.000 -1.356 -8.030) 8.143 11.065 ( 0.000 1.356 -8.030) 8.143 11.274 ( 0.000 -10.119 -4.913) 11.248 11.274 ( 0.000 10.119 -4.913) 11.248 12.388 ( 0.000 -16.071 12.538) 20.383 12.388 ( 0.000 16.071 12.538) 20.383 13.096 ( 0.000 -13.608 10.588) 17.242 13.096 ( 0.000 13.608 10.588) 17.242 14.048 ( 0.000 -2.172 -0.778) 2.307 14.048 ( 0.000 2.172 -0.778) 2.307 15.013 ( 0.000 -10.401 -8.632) 13.516 15.013 ( 0.000 10.401 -8.632) 13.516 ======================= Grid point 93 (38/100) ======================= q-point: ( 0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 0.509 -0.000 6.858) 6.877 2.661 ( 3.032 0.000 4.276) 5.241 2.889 ( 9.780 0.000 5.780) 11.361 2.899 ( 11.700 -0.000 7.593) 13.948 3.349 ( -9.914 0.000 1.715) 10.061 3.433 ( -5.828 0.000 6.685) 8.868 3.719 ( -11.845 0.000 -9.991) 15.496 4.071 ( -1.453 0.000 -1.889) 2.383 4.327 ( -8.234 0.000 3.620) 8.995 4.498 ( 0.857 -0.000 15.644) 15.667 4.615 ( 1.691 0.000 0.590) 1.791 4.649 ( 0.644 0.000 -3.906) 3.959 4.786 ( 1.031 0.000 4.924) 5.030 4.859 ( 4.525 -0.000 1.568) 4.789 5.199 ( -5.813 -0.000 -2.422) 6.297 5.323 ( 1.918 0.000 3.971) 4.410 5.350 ( 3.214 -0.000 -5.178) 6.094 5.488 ( 2.094 -0.000 0.556) 2.166 5.611 ( 5.996 -0.000 -1.244) 6.123 5.837 ( 9.132 0.000 4.365) 10.122 6.011 ( 1.343 -0.000 -4.480) 4.677 6.071 ( 1.902 0.000 0.950) 2.126 6.097 ( 8.388 0.000 -0.220) 8.391 6.281 ( 11.852 0.000 5.745) 13.171 6.768 ( -8.908 0.000 -11.659) 14.672 6.894 ( 0.891 -0.000 -3.482) 3.594 7.124 ( -8.100 -0.000 2.444) 8.461 7.330 ( -10.995 0.000 2.554) 11.288 7.453 ( -6.944 0.000 -7.260) 10.046 7.713 ( -12.310 0.000 2.551) 12.571 7.996 ( 4.639 0.000 -15.637) 16.311 8.096 ( -2.101 0.000 -6.374) 6.711 8.407 ( 1.438 -0.000 4.105) 4.350 8.550 ( 7.550 0.000 11.517) 13.771 8.620 ( -1.759 -0.000 5.147) 5.439 8.660 ( -7.716 0.000 8.149) 11.222 8.967 ( 3.377 0.000 -5.780) 6.695 9.104 ( 0.749 0.000 -2.881) 2.977 9.207 ( 9.483 0.000 -3.813) 10.221 9.316 ( 11.207 0.000 -7.226) 13.335 9.650 ( -0.286 0.000 0.144) 0.320 9.732 ( 3.419 0.000 -2.124) 4.025 9.944 ( 2.106 0.000 0.821) 2.261 9.964 ( 5.993 -0.000 -1.419) 6.159 10.097 ( -1.818 0.000 -2.798) 3.336 10.189 ( 2.869 0.000 -3.369) 4.425 10.507 ( -5.120 0.000 -5.069) 7.205 10.534 ( -3.883 0.000 -4.230) 5.742 10.965 ( -7.202 0.000 -6.019) 9.386 11.046 ( -0.389 0.000 -2.990) 3.015 11.306 ( 6.397 0.000 -9.827) 11.726 11.513 ( 13.785 0.000 -16.567) 21.552 12.086 ( -14.985 0.000 15.003) 21.205 12.611 ( 9.215 0.000 17.551) 19.823 12.914 ( -11.143 0.000 8.248) 13.864 13.175 ( 0.473 -0.000 13.970) 13.978 14.084 ( 3.821 0.000 -1.935) 4.283 14.090 ( 3.890 -0.000 -1.962) 4.357 14.940 ( -6.949 0.000 -7.970) 10.574 14.947 ( -6.700 -0.000 -7.753) 10.247 ======================= Grid point 95 (39/100) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 5.354 -0.000 2.989) 6.132 2.754 ( 5.611 0.000 4.050) 6.920 3.054 ( 5.478 0.000 3.013) 6.252 3.111 ( 1.653 -0.000 4.969) 5.236 3.216 ( 1.392 0.000 -9.342) 9.445 3.308 ( -5.989 0.000 2.835) 6.626 3.569 ( 1.630 0.000 1.929) 2.525 3.911 ( -8.371 0.000 7.572) 11.288 4.116 ( -12.578 0.000 0.923) 12.612 4.373 ( -23.427 0.000 8.346) 24.869 4.667 ( 10.238 -0.000 3.706) 10.889 4.724 ( 6.571 0.000 4.320) 7.864 4.850 ( 3.162 0.000 -2.977) 4.343 4.901 ( 0.374 0.000 -4.371) 4.387 5.227 ( 5.744 -0.000 -3.872) 6.927 5.343 ( 0.004 0.000 5.740) 5.740 5.459 ( 7.248 0.000 -8.127) 10.889 5.553 ( 3.997 -0.000 -5.789) 7.034 5.767 ( 9.821 -0.000 -1.162) 9.889 5.936 ( 3.527 0.000 2.247) 4.182 6.056 ( 0.220 -0.000 -0.711) 0.745 6.057 ( 4.161 0.000 -2.200) 4.707 6.326 ( 6.314 0.000 3.063) 7.018 6.504 ( -13.253 0.000 -2.121) 13.422 6.571 ( 13.232 0.000 5.286) 14.249 6.867 ( -4.657 0.000 -0.997) 4.762 7.008 ( -4.112 0.000 4.812) 6.330 7.077 ( -6.361 -0.000 13.259) 14.706 7.374 ( -6.500 -0.000 -2.386) 6.924 7.496 ( -10.700 0.000 1.563) 10.813 8.014 ( -1.579 0.000 -13.975) 14.064 8.017 ( -3.917 -0.000 -10.775) 11.465 8.386 ( -1.711 0.000 -1.905) 2.561 8.495 ( -7.571 0.000 3.800) 8.471 8.676 ( 4.701 0.000 5.588) 7.302 8.683 ( 4.989 -0.000 7.336) 8.872 9.054 ( 4.561 0.000 -2.274) 5.097 9.119 ( 0.708 -0.000 -1.530) 1.685 9.380 ( 7.993 0.000 -7.109) 10.697 9.500 ( 4.911 0.000 -13.141) 14.029 9.691 ( 5.974 -0.000 4.883) 7.716 9.793 ( 2.582 0.000 -1.439) 2.956 9.978 ( 1.733 0.000 2.193) 2.795 10.069 ( -1.221 0.000 0.535) 1.333 10.120 ( 8.807 0.000 -3.156) 9.356 10.241 ( 2.101 0.000 -4.550) 5.012 10.413 ( -3.911 0.000 -3.052) 4.961 10.449 ( -4.471 0.000 -2.534) 5.139 10.870 ( -1.438 0.000 -5.813) 5.988 11.045 ( -1.030 0.000 -1.068) 1.484 11.398 ( 2.112 0.000 -14.124) 14.281 11.542 ( -11.059 0.000 -23.444) 25.922 12.071 ( 14.817 0.000 14.733) 20.895 12.680 ( -12.126 0.000 1.485) 12.216 12.773 ( 7.329 0.000 26.783) 27.768 13.114 ( -6.650 0.000 18.212) 19.388 14.175 ( 5.127 0.000 -4.703) 6.958 14.179 ( 4.876 -0.000 -4.659) 6.744 14.786 ( -8.079 0.000 -5.816) 9.955 14.794 ( -8.272 -0.000 -5.615) 9.998 ======================= Grid point 97 (40/100) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -2.791 0.000 3.012) 4.107 2.797 ( 2.791 0.000 3.012) 4.107 3.079 ( -0.058 0.000 5.851) 5.852 3.079 ( 0.058 0.000 5.851) 5.852 3.235 ( -1.627 0.000 -10.340) 10.468 3.235 ( 1.627 -0.000 -10.340) 10.468 3.859 ( -13.065 0.000 13.287) 18.634 3.859 ( 13.065 0.000 13.287) 18.634 3.935 ( -4.897 -0.000 -0.936) 4.986 3.935 ( 4.897 0.000 -0.936) 4.986 4.783 ( -1.309 0.000 3.824) 4.041 4.783 ( 1.309 0.000 3.824) 4.041 4.888 ( -1.365 0.000 -6.247) 6.395 4.888 ( 1.365 -0.000 -6.247) 6.395 5.318 ( -3.009 0.000 3.386) 4.530 5.318 ( 3.009 0.000 3.386) 4.530 5.574 ( -3.091 0.000 -11.707) 12.108 5.574 ( 3.091 0.000 -11.707) 12.108 5.925 ( -5.155 0.000 -1.030) 5.257 5.925 ( 5.155 0.000 -1.030) 5.257 6.176 ( -6.267 -0.000 0.848) 6.325 6.176 ( 6.267 0.000 0.848) 6.325 6.230 ( -4.266 0.000 2.524) 4.957 6.230 ( 4.266 -0.000 2.524) 4.957 6.821 ( -4.830 0.000 8.565) 9.833 6.821 ( 4.830 0.000 8.565) 9.833 6.992 ( -4.839 -0.000 10.128) 11.224 6.992 ( 4.839 0.000 10.128) 11.224 7.325 ( -5.267 0.000 -1.496) 5.475 7.325 ( 5.267 0.000 -1.496) 5.475 7.985 ( -0.512 0.000 -14.173) 14.183 7.985 ( 0.512 0.000 -14.173) 14.183 8.395 ( -2.893 0.000 0.631) 2.961 8.395 ( 2.893 0.000 0.631) 2.961 8.728 ( -0.309 0.000 5.173) 5.182 8.728 ( 0.309 0.000 5.173) 5.182 9.114 ( -1.625 0.000 -1.236) 2.041 9.114 ( 1.625 0.000 -1.236) 2.041 9.493 ( -3.845 0.000 -9.758) 10.488 9.493 ( 3.845 0.000 -9.758) 10.488 9.801 ( -2.741 0.000 -0.639) 2.814 9.801 ( 2.741 0.000 -0.639) 2.814 10.027 ( -3.260 0.000 3.459) 4.753 10.027 ( 3.260 0.000 3.459) 4.753 10.237 ( -2.991 0.000 -3.787) 4.826 10.237 ( 2.991 0.000 -3.787) 4.826 10.389 ( -1.430 0.000 -2.056) 2.504 10.389 ( 1.430 0.000 -2.056) 2.504 10.947 ( -8.169 0.000 -4.844) 9.497 10.947 ( 8.169 0.000 -4.844) 9.497 11.406 ( -1.265 0.000 -15.455) 15.507 11.406 ( 1.265 0.000 -15.455) 15.507 12.399 ( -17.116 0.000 4.633) 17.732 12.399 ( 17.116 0.000 4.633) 17.732 12.948 ( -10.051 0.000 22.961) 25.064 12.948 ( 10.051 0.000 22.961) 25.064 14.236 ( -0.075 0.000 -6.767) 6.767 14.236 ( 0.075 0.000 -6.767) 6.767 14.698 ( -0.273 0.000 -3.836) 3.846 14.698 ( 0.273 0.000 -3.836) 3.846 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 0.000 32.951) 32.951 1.394 ( 0.000 0.000 29.074) 29.074 2.687 ( 0.000 0.000 60.772) 60.772 3.063 ( 0.000 0.000 -19.629) 19.629 3.179 ( 0.000 0.000 17.844) 17.844 3.308 ( 0.000 0.000 -14.018) 14.018 3.669 ( 0.000 0.000 -13.425) 13.425 4.014 ( 0.000 0.000 -14.604) 14.604 4.295 ( 0.000 0.000 14.767) 14.767 4.464 ( 0.000 0.000 5.884) 5.884 4.549 ( 0.000 0.000 4.049) 4.049 4.801 ( 0.000 0.000 -22.644) 22.644 4.833 ( 0.000 0.000 -5.130) 5.130 5.134 ( 0.000 0.000 5.909) 5.909 5.357 ( 0.000 0.000 -6.441) 6.441 5.368 ( 0.000 0.000 1.639) 1.639 5.545 ( 0.000 0.000 9.315) 9.315 5.671 ( 0.000 0.000 -6.011) 6.011 6.039 ( 0.000 0.000 5.354) 5.354 6.097 ( 0.000 0.000 11.655) 11.655 6.229 ( 0.000 0.000 -4.959) 4.959 6.254 ( 0.000 0.000 -1.783) 1.783 6.542 ( 0.000 0.000 8.644) 8.644 6.750 ( 0.000 0.000 -21.797) 21.797 7.113 ( 0.000 0.000 17.036) 17.036 7.342 ( 0.000 0.000 -19.534) 19.534 7.503 ( 0.000 0.000 20.137) 20.137 7.538 ( 0.000 0.000 -10.545) 10.545 7.806 ( 0.000 0.000 -4.130) 4.130 7.964 ( 0.000 0.000 -6.227) 6.227 8.038 ( 0.000 0.000 -2.297) 2.297 8.213 ( 0.000 0.000 -18.993) 18.993 8.357 ( 0.000 0.000 -17.039) 17.039 8.511 ( 0.000 0.000 11.469) 11.469 8.534 ( 0.000 0.000 -2.662) 2.662 8.772 ( 0.000 0.000 1.033) 1.033 9.159 ( 0.000 0.000 -13.877) 13.877 9.195 ( 0.000 0.000 -5.275) 5.275 9.242 ( 0.000 0.000 -0.429) 0.429 9.523 ( 0.000 0.000 6.492) 6.492 9.619 ( 0.000 0.000 1.757) 1.757 9.835 ( 0.000 0.000 -2.284) 2.284 9.848 ( 0.000 0.000 -0.979) 0.979 9.864 ( 0.000 0.000 -13.223) 13.223 10.156 ( 0.000 0.000 3.328) 3.328 10.326 ( 0.000 0.000 -3.812) 3.812 10.342 ( 0.000 0.000 -1.476) 1.476 10.521 ( 0.000 0.000 -8.809) 8.809 10.748 ( 0.000 0.000 9.942) 9.942 10.938 ( 0.000 0.000 4.136) 4.136 11.347 ( 0.000 0.000 -6.070) 6.070 11.636 ( 0.000 0.000 19.268) 19.268 11.868 ( 0.000 0.000 29.375) 29.375 12.284 ( 0.000 0.000 -17.602) 17.602 12.935 ( 0.000 0.000 18.469) 18.469 13.574 ( 0.000 0.000 -8.583) 8.583 13.588 ( 0.000 0.000 -3.318) 3.318 13.688 ( 0.000 0.000 -12.994) 12.994 14.485 ( 0.000 0.000 11.938) 11.938 14.970 ( 0.000 0.000 0.217) 0.217 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 13.432 0.000 26.285) 29.519 1.584 ( 22.079 0.000 28.463) 36.022 2.913 ( 20.801 0.000 51.353) 55.406 3.031 ( -1.581 0.000 -17.940) 18.009 3.124 ( -8.405 0.000 13.609) 15.995 3.306 ( 2.990 0.000 -7.535) 8.107 3.736 ( 6.436 0.000 -12.191) 13.785 3.856 ( -21.656 0.000 3.750) 21.978 4.101 ( -11.918 0.000 -3.916) 12.545 4.412 ( -1.381 0.000 6.783) 6.922 4.598 ( 1.460 0.000 0.119) 1.465 4.822 ( 4.084 0.000 -14.909) 15.458 5.033 ( 5.576 0.000 -5.212) 7.632 5.033 ( -4.889 0.000 2.143) 5.338 5.216 ( 3.062 0.000 -7.114) 7.745 5.408 ( 3.306 0.000 6.327) 7.138 5.680 ( -5.105 0.000 -6.226) 8.051 5.768 ( 7.448 0.000 0.494) 7.465 5.795 ( -12.464 0.000 3.985) 13.086 5.935 ( -2.150 0.000 -1.339) 2.533 6.289 ( -17.526 0.000 15.243) 23.227 6.298 ( -0.529 0.000 -6.555) 6.576 6.537 ( 7.033 0.000 6.663) 9.688 6.870 ( 11.936 0.000 -14.329) 18.649 7.104 ( 5.100 0.000 9.077) 10.412 7.257 ( -8.984 0.000 -18.159) 20.260 7.509 ( -0.118 0.000 -7.660) 7.661 7.561 ( -1.855 0.000 7.192) 7.427 7.731 ( 4.480 0.000 5.324) 6.958 7.936 ( -11.167 0.000 -2.522) 11.448 8.082 ( 3.835 0.000 -5.805) 6.957 8.250 ( 3.217 0.000 -18.560) 18.837 8.416 ( 10.309 0.000 -16.781) 19.694 8.473 ( -4.742 0.000 10.633) 11.642 8.687 ( 10.176 0.000 -2.142) 10.399 8.868 ( 8.867 0.000 1.314) 8.963 9.101 ( -6.081 0.000 -12.713) 14.093 9.234 ( 4.451 0.000 -4.796) 6.544 9.297 ( 3.312 0.000 1.021) 3.466 9.558 ( 4.838 0.000 1.140) 4.971 9.637 ( 1.796 0.000 -0.683) 1.922 9.834 ( -1.557 0.000 -8.065) 8.214 9.874 ( 0.023 0.000 -7.365) 7.365 9.898 ( 6.045 0.000 -2.871) 6.693 10.168 ( 2.469 0.000 6.104) 6.585 10.305 ( -3.286 0.000 -2.220) 3.966 10.350 ( 2.499 0.000 -3.817) 4.562 10.515 ( -1.498 0.000 -7.080) 7.237 10.713 ( -2.748 0.000 8.361) 8.801 10.989 ( 4.755 0.000 7.251) 8.671 11.393 ( 6.536 0.000 -5.366) 8.457 11.533 ( -11.263 0.000 21.502) 24.273 11.722 ( -12.510 0.000 26.117) 28.959 12.378 ( 8.613 0.000 -17.826) 19.798 13.108 ( 15.995 0.000 18.035) 24.106 13.205 ( -21.248 0.000 -4.148) 21.650 13.582 ( -7.411 0.000 -17.414) 18.925 13.931 ( 15.652 0.000 -2.559) 15.860 14.403 ( -8.558 0.000 12.188) 14.892 14.864 ( -9.765 0.000 3.006) 10.217 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 24.133 0.000 19.250) 30.870 2.106 ( 31.429 0.000 21.494) 38.076 2.827 ( -21.428 0.000 10.671) 23.938 3.079 ( 7.971 0.000 -13.421) 15.610 3.305 ( 17.178 0.000 23.958) 29.480 3.331 ( -31.127 0.000 11.746) 33.269 3.460 ( 9.927 0.000 3.520) 10.532 3.767 ( -22.825 0.000 -5.065) 23.380 3.905 ( 11.717 0.000 -9.231) 14.916 4.480 ( -4.119 0.000 -0.274) 4.128 4.510 ( 2.834 0.000 6.026) 6.659 4.972 ( 11.009 0.000 -13.478) 17.402 4.978 ( 2.976 0.000 9.175) 9.646 5.145 ( 6.726 0.000 -15.525) 16.919 5.347 ( -14.854 0.000 3.830) 15.339 5.412 ( 9.171 0.000 -12.670) 15.641 5.524 ( -0.081 0.000 7.472) 7.472 5.674 ( -8.174 0.000 -2.553) 8.564 5.703 ( -7.752 0.000 1.617) 7.919 5.822 ( -21.823 0.000 14.163) 26.016 6.081 ( 8.192 0.000 -10.305) 13.165 6.223 ( -5.251 0.000 -13.208) 14.214 6.708 ( 10.787 0.000 11.043) 15.437 7.057 ( 1.060 0.000 -5.079) 5.189 7.130 ( 0.717 0.000 -15.795) 15.811 7.134 ( -6.618 0.000 5.294) 8.475 7.517 ( 1.047 0.000 -1.859) 2.133 7.609 ( 11.007 0.000 -2.502) 11.288 7.737 ( -8.118 0.000 -4.787) 9.425 7.892 ( 8.449 0.000 7.619) 11.377 8.071 ( -3.410 0.000 -3.281) 4.732 8.331 ( -9.763 0.000 9.873) 13.885 8.351 ( 8.251 0.000 -19.736) 21.391 8.612 ( 6.236 0.000 -16.176) 17.336 8.826 ( 3.862 0.000 -2.143) 4.417 8.960 ( -6.906 0.000 -7.721) 10.359 9.039 ( 8.419 0.000 3.481) 9.110 9.286 ( -4.007 0.000 4.378) 5.935 9.372 ( 10.240 0.000 -3.792) 10.919 9.675 ( 1.538 0.000 -3.632) 3.944 9.723 ( 11.014 0.000 -5.330) 12.236 9.792 ( -3.009 0.000 -8.304) 8.832 9.816 ( -5.792 0.000 -8.232) 10.065 9.996 ( 1.528 0.000 -5.692) 5.893 10.261 ( 0.431 0.000 -2.123) 2.167 10.285 ( 8.936 0.000 6.335) 10.954 10.412 ( 3.330 0.000 -3.725) 4.997 10.448 ( -5.288 0.000 -4.243) 6.780 10.684 ( 1.361 0.000 11.351) 11.433 11.104 ( 7.374 0.000 12.154) 14.216 11.223 ( -19.870 0.000 24.649) 31.660 11.485 ( -12.107 0.000 19.608) 23.045 11.638 ( 19.239 0.000 -5.652) 20.052 12.455 ( -9.045 0.000 -13.520) 16.267 12.914 ( -1.527 0.000 -9.052) 9.180 13.383 ( -13.267 0.000 -17.329) 21.824 13.461 ( 20.237 0.000 16.408) 26.053 14.173 ( -15.388 0.000 13.012) 20.152 14.203 ( 13.305 0.000 -0.493) 13.314 14.656 ( -11.470 0.000 4.208) 12.218 ======================= Grid point 129 (44/100) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -26.063 0.000 13.691) 29.440 2.369 ( 26.063 0.000 13.691) 29.440 2.722 ( -33.053 0.000 15.924) 36.689 2.722 ( 33.053 0.000 15.924) 36.689 3.345 ( -19.662 0.000 -7.739) 21.130 3.345 ( 19.662 0.000 -7.739) 21.130 3.520 ( -4.889 0.000 6.260) 7.943 3.520 ( 4.889 0.000 6.260) 7.943 4.178 ( -16.902 0.000 -8.317) 18.838 4.178 ( 16.902 0.000 -8.317) 18.838 4.862 ( -21.117 0.000 21.526) 30.155 4.862 ( 21.117 0.000 21.526) 30.155 5.165 ( -6.841 0.000 -15.658) 17.087 5.165 ( 6.841 0.000 -15.658) 17.087 5.279 ( -14.515 0.000 1.781) 14.624 5.279 ( 14.515 0.000 1.781) 14.624 5.539 ( -6.906 0.000 -11.238) 13.190 5.539 ( 6.906 0.000 -11.238) 13.190 5.662 ( -4.844 0.000 8.017) 9.367 5.662 ( 4.844 0.000 8.017) 9.367 6.162 ( -1.984 0.000 -13.101) 13.251 6.162 ( 1.984 0.000 -13.101) 13.251 6.933 ( -12.467 0.000 7.464) 14.530 6.933 ( 12.467 0.000 7.464) 14.530 7.089 ( -4.819 0.000 -7.351) 8.790 7.089 ( 4.819 0.000 -7.351) 8.790 7.604 ( -6.921 0.000 -3.653) 7.826 7.604 ( 6.921 0.000 -3.653) 7.826 7.853 ( -11.589 0.000 -3.188) 12.019 7.853 ( 11.589 0.000 -3.188) 12.019 8.137 ( -9.773 0.000 8.399) 12.886 8.137 ( 9.773 0.000 8.399) 12.886 8.545 ( -10.581 0.000 -18.599) 21.398 8.545 ( 10.581 0.000 -18.599) 21.398 8.883 ( -3.149 0.000 -3.715) 4.870 8.883 ( 3.149 0.000 -3.715) 4.870 9.181 ( -6.697 0.000 4.805) 8.242 9.181 ( 6.697 0.000 4.805) 8.242 9.589 ( -11.126 0.000 -2.123) 11.327 9.589 ( 11.126 0.000 -2.123) 11.327 9.754 ( -1.673 0.000 -9.407) 9.555 9.754 ( 1.673 0.000 -9.407) 9.555 9.916 ( -8.517 0.000 -6.365) 10.633 9.916 ( 8.517 0.000 -6.365) 10.633 10.337 ( -5.980 0.000 -2.646) 6.539 10.337 ( 5.980 0.000 -2.646) 6.539 10.417 ( -3.691 0.000 -1.999) 4.198 10.417 ( 3.691 0.000 -1.999) 4.198 10.856 ( -16.770 0.000 22.172) 27.800 10.856 ( 16.770 0.000 22.172) 27.800 11.272 ( -10.289 0.000 15.679) 18.753 11.272 ( 10.289 0.000 15.679) 18.753 12.071 ( -24.841 0.000 -7.067) 25.826 12.071 ( 24.841 0.000 -7.067) 25.826 13.106 ( -15.110 0.000 -16.073) 22.060 13.106 ( 15.110 0.000 -16.073) 22.060 13.840 ( -19.432 0.000 14.488) 24.238 13.840 ( 19.432 0.000 14.488) 24.238 14.438 ( -11.812 0.000 2.147) 12.005 14.438 ( 11.812 0.000 2.147) 12.005 ======================= Grid point 133 (45/100) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 17.984 24.859) 30.682 1.730 ( 0.000 28.917 26.338) 39.113 2.872 ( 0.000 19.192 51.702) 55.149 3.068 ( 0.000 1.618 -14.722) 14.811 3.239 ( 0.000 -6.751 -8.603) 10.936 3.264 ( 0.000 5.983 12.419) 13.785 3.599 ( 0.000 -4.287 -7.479) 8.620 4.022 ( 0.000 0.451 -16.806) 16.812 4.117 ( 0.000 -9.345 10.947) 14.393 4.503 ( 0.000 -3.630 3.305) 4.909 4.550 ( 0.000 -3.737 -1.732) 4.119 4.643 ( 0.000 -6.073 -2.663) 6.631 4.823 ( 0.000 -1.685 -2.615) 3.111 5.169 ( 0.000 1.246 -0.266) 1.274 5.182 ( 0.000 -5.603 -3.473) 6.592 5.505 ( 0.000 -1.803 3.415) 3.862 5.515 ( 0.000 3.662 -0.186) 3.667 5.775 ( 0.000 7.153 -0.284) 7.159 6.015 ( 0.000 -0.970 6.458) 6.530 6.078 ( 0.000 -11.973 -1.356) 12.049 6.139 ( 0.000 2.250 9.909) 10.162 6.326 ( 0.000 3.396 -2.201) 4.046 6.632 ( 0.000 8.799 4.493) 9.880 6.797 ( 0.000 3.919 -24.212) 24.527 7.001 ( 0.000 -25.559 2.118) 25.647 7.212 ( 0.000 9.616 13.169) 16.306 7.393 ( 0.000 -1.443 -12.547) 12.630 7.596 ( 0.000 -23.544 -4.810) 24.030 7.784 ( 0.000 -16.378 -7.632) 18.069 7.814 ( 0.000 8.678 -7.261) 11.315 7.997 ( 0.000 -5.157 2.591) 5.772 8.130 ( 0.000 -11.334 -11.515) 16.157 8.323 ( 0.000 8.919 -10.578) 13.836 8.379 ( 0.000 -10.485 9.633) 14.239 8.551 ( 0.000 2.765 -3.056) 4.121 8.819 ( 0.000 2.766 -6.984) 7.512 9.131 ( 0.000 -6.927 -5.698) 8.969 9.213 ( 0.000 -2.490 0.716) 2.591 9.218 ( 0.000 1.371 -4.629) 4.828 9.495 ( 0.000 -1.423 8.932) 9.045 9.605 ( 0.000 -2.076 2.384) 3.161 9.794 ( 0.000 -2.909 -0.937) 3.057 9.860 ( 0.000 1.381 0.733) 1.563 9.902 ( 0.000 3.245 -10.863) 11.337 10.206 ( 0.000 5.965 -5.323) 7.995 10.264 ( 0.000 -3.575 -2.646) 4.447 10.370 ( 0.000 -0.694 -2.277) 2.381 10.628 ( 0.000 7.047 -8.980) 11.416 10.656 ( 0.000 -7.314 8.006) 10.844 10.847 ( 0.000 -5.231 1.588) 5.467 11.317 ( 0.000 -3.916 -9.152) 9.954 11.549 ( 0.000 -20.590 11.927) 23.795 11.772 ( 0.000 12.752 22.233) 25.631 12.565 ( 0.000 17.261 -1.336) 17.312 12.937 ( 0.000 1.489 19.722) 19.778 13.559 ( 0.000 -2.309 -6.951) 7.324 13.697 ( 0.000 7.565 0.673) 7.595 13.822 ( 0.000 13.327 -17.126) 21.701 14.439 ( 0.000 -4.243 11.178) 11.957 14.985 ( 0.000 1.171 -4.096) 4.260 ======================= Grid point 134 (46/100) ======================= q-point: ( 0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 6.620 15.003 23.232) 28.436 1.911 ( 16.053 22.189 25.879) 37.679 2.982 ( -6.674 -2.796 -13.813) 15.593 3.096 ( 15.792 14.914 35.708) 41.795 3.205 ( -3.136 7.994 13.186) 15.736 3.263 ( 2.699 -4.480 -0.850) 5.299 3.623 ( -2.064 -4.314 -3.824) 6.123 3.916 ( -8.176 3.179 -1.830) 8.961 4.033 ( -5.912 -4.635 -4.849) 8.941 4.440 ( -2.332 0.124 8.136) 8.464 4.593 ( 4.708 -5.252 -8.815) 11.290 4.693 ( 2.912 -6.042 -2.471) 7.148 4.933 ( -8.464 -3.008 2.883) 9.434 5.042 ( 12.109 -4.329 -2.852) 13.172 5.206 ( -1.476 0.366 -6.369) 6.548 5.457 ( -2.157 0.356 0.629) 2.275 5.660 ( -6.281 -0.008 1.770) 6.526 5.725 ( 12.603 -1.858 -3.502) 13.212 5.822 ( -13.163 -0.464 -0.193) 13.172 6.043 ( -1.162 8.125 -0.370) 8.216 6.205 ( -8.698 -1.922 2.226) 9.181 6.339 ( -1.651 -0.570 12.586) 12.706 6.595 ( -1.776 4.552 1.643) 5.155 6.819 ( 1.387 -9.191 -11.644) 14.898 6.996 ( 4.315 -11.031 -3.802) 12.440 7.209 ( -0.932 5.500 -1.958) 5.912 7.398 ( -0.831 -10.803 -2.654) 11.155 7.559 ( -1.844 -9.479 -5.152) 10.945 7.591 ( -8.618 -15.693 -6.218) 18.952 7.849 ( 6.015 7.114 -3.264) 9.871 8.172 ( 8.845 -6.477 -2.514) 11.248 8.302 ( 6.158 -0.697 -7.132) 9.449 8.341 ( 0.397 -10.520 0.647) 10.548 8.368 ( 3.320 4.087 -4.325) 6.813 8.605 ( 7.159 -2.617 -3.835) 8.533 8.845 ( 2.009 -0.553 -7.714) 7.991 9.105 ( -3.424 -3.978 -4.183) 6.711 9.234 ( 3.849 0.079 -2.924) 4.835 9.284 ( 5.306 -1.775 0.853) 5.659 9.511 ( 1.819 -2.639 5.968) 6.774 9.605 ( 0.384 -4.389 -1.806) 4.762 9.849 ( 4.778 -1.790 -0.939) 5.188 9.888 ( 2.396 1.166 -0.698) 2.755 9.903 ( 0.029 4.198 -10.343) 11.163 10.192 ( -0.773 4.657 -2.038) 5.141 10.274 ( 0.735 -3.172 -2.461) 4.082 10.356 ( -0.857 -0.941 -1.995) 2.366 10.605 ( -2.530 3.338 -6.137) 7.430 10.660 ( 0.838 -1.157 3.949) 4.200 10.890 ( 4.007 -6.422 4.078) 8.598 11.287 ( -4.407 -8.341 -2.331) 9.718 11.439 ( -9.440 -15.845 11.240) 21.599 11.754 ( -0.294 13.700 19.609) 23.923 12.630 ( 6.262 17.749 -6.115) 19.790 13.079 ( 13.190 -1.052 18.821) 23.007 13.236 ( -20.622 1.556 -3.252) 20.934 13.753 ( -6.688 14.314 -16.576) 22.899 13.966 ( 15.384 2.950 -1.947) 15.785 14.362 ( -7.923 -3.721 11.311) 14.303 14.892 ( -8.820 2.222 -1.620) 9.238 ======================= Grid point 135 (47/100) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 21.103 5.745 16.774) 27.563 2.280 ( 21.854 12.269 22.432) 33.635 2.795 ( -17.472 -3.270 1.869) 17.873 3.054 ( 0.965 -0.972 -6.600) 6.741 3.141 ( -16.645 -7.888 12.999) 22.545 3.475 ( -8.718 -0.902 -2.760) 9.188 3.527 ( 15.129 14.670 16.522) 26.778 3.885 ( -6.779 10.940 -3.040) 13.224 3.967 ( 10.541 4.151 -2.583) 11.620 4.496 ( 5.719 -0.838 10.853) 12.296 4.579 ( -4.073 8.052 -2.705) 9.420 4.766 ( 6.566 -15.944 -6.663) 18.486 4.886 ( 3.279 -7.102 2.619) 8.249 5.154 ( 0.965 -2.607 -7.821) 8.300 5.235 ( -4.494 -6.328 -6.954) 10.421 5.431 ( 6.399 -1.446 -0.438) 6.575 5.598 ( -2.966 -0.365 -1.700) 3.439 5.678 ( -0.498 8.548 1.076) 8.630 5.785 ( -27.034 2.484 7.403) 28.139 5.850 ( -4.426 4.936 0.773) 6.675 6.075 ( 7.420 0.150 -5.808) 9.424 6.273 ( -5.039 2.811 -3.142) 6.570 6.597 ( 2.377 -10.719 1.676) 11.106 6.835 ( -2.879 -12.771 3.459) 13.541 7.044 ( 0.871 -8.213 -10.185) 13.113 7.158 ( -7.297 -1.419 -3.943) 8.415 7.382 ( 3.225 -11.346 -0.019) 11.796 7.515 ( 0.493 -10.426 -3.631) 11.051 7.676 ( 11.702 -0.040 -4.541) 12.552 8.000 ( 7.506 5.852 0.904) 9.561 8.187 ( -7.301 -9.207 6.557) 13.456 8.287 ( -4.618 10.733 -1.168) 11.743 8.351 ( 7.897 -0.061 -13.490) 15.632 8.569 ( 9.770 -5.690 -10.105) 15.164 8.722 ( 2.162 -8.651 -1.301) 9.011 8.820 ( -5.993 -6.892 -10.839) 14.174 9.091 ( 4.232 0.795 1.172) 4.463 9.302 ( -2.115 -1.404 3.305) 4.168 9.387 ( 9.942 2.233 -1.577) 10.311 9.581 ( 4.954 -6.964 -2.400) 8.877 9.628 ( 1.584 -5.737 -4.320) 7.355 9.833 ( -6.799 1.784 -6.420) 9.520 9.924 ( 2.238 6.568 -8.885) 11.274 9.966 ( 3.868 -1.127 -3.356) 5.243 10.203 ( 1.554 -1.192 1.752) 2.628 10.289 ( 0.288 -2.809 -0.717) 2.914 10.372 ( 4.275 -1.409 1.621) 4.784 10.557 ( -2.206 4.880 -5.583) 7.736 10.679 ( 1.498 1.882 3.872) 4.559 10.986 ( 6.225 -8.856 8.534) 13.784 11.071 ( -16.362 -11.594 16.015) 25.664 11.292 ( -7.607 -11.821 6.373) 15.435 11.860 ( 13.188 14.854 7.648) 21.285 12.629 ( -15.475 12.888 -6.529) 21.171 12.996 ( 4.304 7.076 -7.457) 11.145 13.338 ( 8.152 -2.469 8.636) 12.130 13.619 ( -2.396 12.540 -7.504) 14.809 14.125 ( -11.832 -3.315 11.202) 16.627 14.256 ( 10.497 3.501 -0.080) 11.065 14.697 ( -11.139 3.316 0.623) 11.639 ======================= Grid point 136 (48/100) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -25.045 -0.388 9.635) 26.837 2.344 ( 25.045 -0.388 9.635) 26.837 2.730 ( -22.883 2.275 18.468) 29.493 2.730 ( 22.883 2.275 18.468) 29.493 3.229 ( -14.215 -6.020 -7.041) 16.967 3.229 ( 14.215 -6.020 -7.041) 16.967 3.752 ( -8.913 14.455 3.275) 17.295 3.752 ( 8.913 14.455 3.275) 17.295 4.245 ( -17.289 5.648 -6.435) 19.293 4.245 ( 17.289 5.648 -6.435) 19.293 4.881 ( -3.601 -10.298 6.377) 12.637 4.881 ( 3.601 -10.298 6.377) 12.637 4.942 ( -17.990 -2.188 3.827) 18.522 4.942 ( 17.990 -2.188 3.827) 18.522 5.308 ( -13.247 -0.355 -0.082) 13.252 5.308 ( 13.247 -0.355 -0.082) 13.252 5.567 ( -2.787 1.013 -8.388) 8.897 5.567 ( 2.787 1.013 -8.388) 8.897 5.735 ( -5.276 5.363 2.266) 7.857 5.735 ( 5.276 5.363 2.266) 7.857 6.189 ( -4.190 2.436 -8.492) 9.777 6.189 ( 4.190 2.436 -8.492) 9.777 6.711 ( -8.904 -17.294 4.276) 19.917 6.711 ( 8.904 -17.294 4.276) 19.917 7.052 ( -2.771 -3.124 -6.159) 7.441 7.052 ( 2.771 -3.124 -6.159) 7.441 7.483 ( -4.733 -8.137 -1.827) 9.589 7.483 ( 4.733 -8.137 -1.827) 9.589 7.929 ( -12.993 -5.373 0.929) 14.091 7.929 ( 12.993 -5.373 0.929) 14.091 8.184 ( -5.896 10.218 1.236) 11.862 8.184 ( 5.896 10.218 1.236) 11.862 8.549 ( -11.255 -0.694 -15.065) 18.818 8.549 ( 11.255 -0.694 -15.065) 18.818 8.742 ( -3.263 -11.315 -2.620) 12.064 8.742 ( 3.263 -11.315 -2.620) 12.064 9.207 ( -6.575 0.424 2.793) 7.156 9.207 ( 6.575 0.424 2.793) 7.156 9.594 ( -7.805 -0.567 -1.602) 7.988 9.594 ( 7.805 -0.567 -1.602) 7.988 9.674 ( -5.684 -4.269 -7.356) 10.229 9.674 ( 5.684 -4.269 -7.356) 10.229 9.975 ( -2.402 3.508 -7.226) 8.384 9.975 ( 2.402 3.508 -7.226) 8.384 10.250 ( -3.346 -4.080 0.000) 5.276 10.250 ( 3.346 -4.080 0.000) 5.276 10.499 ( -5.446 2.871 -1.071) 6.249 10.499 ( 5.446 2.871 -1.071) 6.249 10.782 ( -11.487 -3.897 12.628) 17.510 10.782 ( 11.487 -3.897 12.628) 17.510 11.130 ( -8.750 -10.845 10.366) 17.368 11.130 ( 8.750 -10.845 10.366) 17.368 12.218 ( -22.861 11.445 -0.947) 25.584 12.218 ( 22.861 11.445 -0.947) 25.584 13.216 ( -13.623 8.936 -11.893) 20.172 13.216 ( 13.623 8.936 -11.893) 20.172 13.826 ( -17.055 -0.718 12.569) 21.198 13.826 ( 17.055 -0.718 12.569) 21.198 14.481 ( -11.744 3.568 0.163) 12.275 14.481 ( 11.744 3.568 0.163) 12.275 ======================= Grid point 140 (49/100) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 23.797 17.705) 29.661 2.273 ( 0.000 22.362 26.547) 34.710 3.047 ( 0.000 -9.578 -1.841) 9.753 3.118 ( 0.000 1.690 -15.315) 15.408 3.365 ( 0.000 4.751 12.267) 13.155 3.493 ( 0.000 36.624 22.323) 42.892 3.561 ( 0.000 1.422 5.377) 5.562 4.052 ( 0.000 3.793 -15.109) 15.577 4.069 ( 0.000 5.716 8.108) 9.920 4.257 ( 0.000 -16.816 -2.974) 17.077 4.434 ( 0.000 -2.638 0.903) 2.788 4.634 ( 0.000 -1.987 5.623) 5.964 4.762 ( 0.000 -3.247 3.348) 4.664 5.142 ( 0.000 0.455 -4.496) 4.519 5.190 ( 0.000 2.171 -1.402) 2.585 5.478 ( 0.000 -3.234 3.056) 4.449 5.494 ( 0.000 -4.799 4.600) 6.648 5.737 ( 0.000 -14.075 5.002) 14.938 5.907 ( 0.000 0.179 -1.250) 1.262 6.053 ( 0.000 3.177 5.570) 6.412 6.137 ( 0.000 -2.306 4.928) 5.441 6.375 ( 0.000 -0.293 -3.333) 3.346 6.487 ( 0.000 -22.662 -0.290) 22.664 6.844 ( 0.000 -3.489 -20.441) 20.737 6.854 ( 0.000 10.206 -1.096) 10.265 6.948 ( 0.000 -30.440 -4.065) 30.711 7.101 ( 0.000 -26.748 -1.985) 26.822 7.460 ( 0.000 11.807 2.396) 12.048 7.553 ( 0.000 -3.185 -15.141) 15.472 7.796 ( 0.000 -13.610 3.057) 13.949 7.905 ( 0.000 1.157 -16.955) 16.994 7.956 ( 0.000 -8.387 -6.183) 10.420 8.275 ( 0.000 1.640 11.232) 11.351 8.497 ( 0.000 7.416 1.218) 7.515 8.650 ( 0.000 6.063 -5.782) 8.378 8.781 ( 0.000 -8.137 -13.717) 15.949 8.957 ( 0.000 -4.066 1.828) 4.458 9.150 ( 0.000 -3.711 2.891) 4.704 9.203 ( 0.000 -2.940 0.644) 3.010 9.453 ( 0.000 -5.061 3.898) 6.388 9.553 ( 0.000 -1.223 10.268) 10.340 9.778 ( 0.000 1.524 -1.207) 1.944 9.918 ( 0.000 3.775 0.721) 3.843 9.966 ( 0.000 2.322 -6.114) 6.540 10.171 ( 0.000 -10.997 -6.140) 12.595 10.205 ( 0.000 -2.432 -1.569) 2.894 10.396 ( 0.000 4.336 -7.376) 8.556 10.505 ( 0.000 -5.695 1.540) 5.899 10.779 ( 0.000 7.424 -7.353) 10.449 10.819 ( 0.000 1.830 -3.520) 3.967 11.175 ( 0.000 -14.859 2.017) 14.996 11.220 ( 0.000 -4.222 -15.493) 16.058 12.092 ( 0.000 17.075 26.089) 31.180 12.860 ( 0.000 10.504 6.505) 12.355 13.022 ( 0.000 6.653 20.443) 21.498 13.462 ( 0.000 -6.610 -3.806) 7.627 13.841 ( 0.000 6.184 -1.710) 6.416 14.160 ( 0.000 18.048 -15.832) 24.008 14.325 ( 0.000 -6.741 8.913) 11.175 14.997 ( 0.000 -0.558 -9.708) 9.724 ======================= Grid point 141 (50/100) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 1.683 23.342 16.495) 28.631 2.354 ( 8.060 20.301 24.414) 32.759 2.915 ( -9.408 -3.549 -10.108) 14.257 3.120 ( -2.698 -3.472 -4.126) 6.030 3.288 ( -5.638 5.160 11.551) 13.850 3.571 ( -1.638 -2.267 -0.017) 2.797 3.700 ( 12.806 31.903 15.155) 37.570 3.940 ( -5.024 1.195 10.490) 11.692 4.094 ( 3.687 11.545 -9.743) 15.550 4.268 ( 1.389 -17.262 -2.841) 17.549 4.457 ( 3.952 -0.865 7.554) 8.570 4.663 ( 2.581 -2.266 -0.693) 3.504 4.927 ( 7.446 -2.769 0.605) 7.967 4.940 ( -6.925 0.966 3.341) 7.749 5.199 ( -3.459 -0.928 -3.241) 4.830 5.364 ( -8.742 -8.728 2.019) 12.517 5.608 ( 5.582 -8.380 1.901) 10.247 5.722 ( 0.294 -2.534 -0.532) 2.606 5.784 ( -2.673 3.627 -4.939) 6.685 6.161 ( -2.133 -1.379 0.442) 2.578 6.188 ( 0.651 -1.507 4.543) 4.830 6.338 ( -0.504 -1.210 8.701) 8.799 6.426 ( -5.984 -17.900 -5.450) 19.644 6.699 ( -4.768 1.989 -1.611) 5.412 6.874 ( -4.901 -14.972 -3.145) 16.065 6.970 ( 4.426 -9.057 -8.712) 13.324 7.205 ( 8.570 -24.682 -0.810) 26.140 7.374 ( -6.841 8.737 -4.813) 12.095 7.497 ( -2.725 0.394 -12.758) 13.052 7.823 ( 1.776 -15.675 3.671) 16.197 7.980 ( 8.587 -0.526 -12.065) 14.818 8.085 ( 7.712 -14.392 -5.767) 17.316 8.301 ( 2.286 1.927 5.165) 5.968 8.514 ( 1.023 6.161 2.354) 6.674 8.646 ( 0.265 4.393 -5.667) 7.175 8.786 ( -0.086 -5.188 -12.987) 13.985 8.986 ( 3.140 -3.247 0.697) 4.570 9.193 ( 3.222 -4.469 3.666) 6.618 9.246 ( 5.313 -2.154 0.463) 5.751 9.459 ( -0.371 -8.509 1.056) 8.583 9.510 ( -1.933 1.529 6.676) 7.116 9.836 ( 4.429 0.405 0.525) 4.479 9.935 ( 1.404 3.175 -1.236) 3.685 9.987 ( 2.085 3.164 -6.145) 7.220 10.157 ( -1.134 -8.743 -4.660) 9.972 10.232 ( 2.640 -3.563 -1.478) 4.674 10.363 ( -3.024 4.061 -5.906) 7.779 10.524 ( 1.859 -5.399 2.200) 6.119 10.779 ( 0.158 7.282 -7.665) 10.574 10.840 ( 1.559 1.499 -2.669) 3.436 11.064 ( -8.734 -10.588 2.339) 13.923 11.216 ( -2.941 -5.742 -13.152) 14.649 12.073 ( -0.235 15.907 24.523) 29.231 12.961 ( 9.373 12.457 2.472) 15.784 13.098 ( 7.953 3.276 20.653) 22.373 13.227 ( -18.868 -2.004 -1.535) 19.036 13.985 ( 5.516 3.467 -7.133) 9.661 14.128 ( 0.223 16.133 -10.607) 19.309 14.264 ( -5.837 -5.594 8.469) 11.708 14.925 ( -7.095 0.349 -7.950) 10.661 ======================= Grid point 142 (51/100) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 11.644 19.044 11.675) 25.191 2.546 ( 10.635 13.694 17.183) 24.411 2.754 ( -8.483 1.261 -2.713) 8.995 3.011 ( -6.815 -0.228 -1.642) 7.014 3.147 ( -8.455 4.679 10.534) 14.295 3.410 ( -13.910 -2.927 -5.092) 15.099 3.768 ( 4.478 3.938 6.450) 8.784 4.076 ( 5.824 8.230 6.276) 11.876 4.160 ( 2.871 12.432 -6.691) 14.407 4.346 ( 6.003 -16.237 0.915) 17.335 4.614 ( 7.629 7.125 10.845) 15.053 4.700 ( 1.484 -4.525 7.973) 9.286 4.752 ( -3.256 2.434 -6.446) 7.620 5.045 ( -1.334 -6.698 -5.546) 8.798 5.166 ( 2.282 0.596 -0.809) 2.494 5.334 ( 7.781 -6.909 0.078) 10.406 5.583 ( -2.077 -3.746 -7.238) 8.411 5.720 ( -3.233 0.129 0.640) 3.298 5.873 ( 2.126 -4.517 -1.946) 5.359 5.978 ( -19.213 7.238 4.814) 21.088 6.116 ( 0.143 5.008 2.977) 5.828 6.244 ( -3.735 -8.240 7.318) 11.637 6.327 ( -1.715 -8.862 -2.932) 9.491 6.670 ( -10.981 -4.780 -3.675) 12.527 6.861 ( 10.207 -5.041 3.119) 11.804 7.084 ( 6.994 -13.199 -5.230) 15.827 7.210 ( -7.645 0.635 -2.410) 8.041 7.305 ( -1.828 -8.482 -5.243) 10.138 7.571 ( 10.391 -10.143 -7.025) 16.131 7.837 ( -0.981 -13.934 2.879) 14.262 8.138 ( 5.893 -6.595 -12.093) 14.983 8.167 ( 0.769 -18.353 -0.100) 18.369 8.374 ( 5.914 -0.495 1.107) 6.037 8.536 ( 2.551 6.127 -1.180) 6.741 8.638 ( -2.170 0.724 -1.126) 2.549 8.754 ( -3.534 0.676 -11.792) 12.329 9.073 ( 5.608 -1.744 -1.232) 6.000 9.229 ( -0.544 -4.769 5.852) 7.568 9.386 ( 7.931 -4.303 -0.136) 9.024 9.450 ( 1.853 -8.980 -5.607) 10.747 9.533 ( 3.560 1.795 1.893) 4.413 9.854 ( -4.549 -0.230 -2.305) 5.105 9.976 ( 3.168 1.705 -5.036) 6.189 10.021 ( 0.631 2.176 -8.712) 9.002 10.158 ( 2.163 -3.167 0.336) 3.850 10.296 ( -3.525 2.355 -3.021) 5.206 10.311 ( 5.945 -2.824 1.352) 6.719 10.556 ( 0.052 -5.058 3.527) 6.167 10.788 ( 0.769 6.543 -6.203) 9.048 10.836 ( -3.148 -4.839 3.181) 6.591 10.922 ( -3.400 0.307 -1.038) 3.569 11.101 ( -8.431 -5.988 -6.328) 12.123 12.156 ( 10.083 13.284 16.098) 23.179 12.832 ( -21.444 5.133 1.069) 22.076 13.177 ( 11.988 10.243 -2.333) 15.940 13.293 ( 10.835 -1.777 17.798) 20.912 13.896 ( -8.189 12.492 -12.348) 19.380 14.060 ( -11.298 -2.426 8.252) 14.199 14.329 ( 11.791 3.941 -2.816) 12.747 14.756 ( -10.211 1.760 -5.078) 11.539 ======================= Grid point 143 (52/100) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -16.652 10.813 5.017) 20.478 2.445 ( 16.652 10.813 5.017) 20.478 2.827 ( -12.916 6.883 12.691) 19.371 2.827 ( 12.916 6.883 12.691) 19.371 3.157 ( -10.234 -0.612 -3.969) 10.994 3.157 ( 10.234 -0.612 -3.969) 10.994 3.941 ( -11.626 2.703 5.629) 13.196 3.941 ( 11.626 2.703 5.629) 13.196 4.355 ( -9.099 1.153 -1.981) 9.383 4.355 ( 9.099 1.153 -1.981) 9.383 4.580 ( -3.621 -8.357 -4.100) 9.988 4.580 ( 3.621 -8.357 -4.100) 9.988 4.987 ( -7.971 -0.217 -0.291) 7.979 4.987 ( 7.971 -0.217 -0.291) 7.979 5.405 ( -22.693 8.442 7.754) 25.423 5.405 ( 22.693 8.442 7.754) 25.423 5.513 ( -5.744 -3.846 -3.530) 7.762 5.513 ( 5.744 -3.846 -3.530) 7.762 5.813 ( -3.692 0.612 -0.715) 3.810 5.813 ( 3.692 0.612 -0.715) 3.810 6.194 ( -2.658 -5.586 6.029) 8.638 6.194 ( 2.658 -5.586 6.029) 8.638 6.427 ( -12.124 -4.411 -4.066) 13.527 6.427 ( 12.124 -4.411 -4.066) 13.527 7.044 ( -8.512 2.509 -3.703) 9.616 7.044 ( 8.512 2.509 -3.703) 9.616 7.227 ( -6.027 -15.396 -0.930) 16.559 7.227 ( 6.027 -15.396 -0.930) 16.559 7.761 ( -7.718 -10.598 -2.052) 13.270 7.761 ( 7.718 -10.598 -2.052) 13.270 8.172 ( -0.526 -16.184 -4.725) 16.867 8.172 ( 0.526 -16.184 -4.725) 16.867 8.507 ( -7.018 0.027 3.328) 7.767 8.507 ( 7.018 0.027 3.328) 7.767 8.662 ( -5.525 4.380 -9.576) 11.891 8.662 ( 5.525 4.380 -9.576) 11.891 9.174 ( -4.608 -2.900 1.526) 5.654 9.174 ( 4.608 -2.900 1.526) 5.654 9.473 ( -1.594 -8.573 -0.992) 8.776 9.473 ( 1.594 -8.573 -0.992) 8.776 9.687 ( -11.287 2.302 -5.942) 12.961 9.687 ( 11.287 2.302 -5.942) 12.961 10.017 ( -0.975 0.645 -6.793) 6.893 10.017 ( 0.975 0.645 -6.793) 6.893 10.222 ( -3.980 1.316 -0.510) 4.222 10.222 ( 3.980 1.316 -0.510) 4.222 10.464 ( -8.712 -4.688 4.749) 10.974 10.464 ( 8.712 -4.688 4.749) 10.974 10.801 ( -0.377 3.178 -1.567) 3.563 10.801 ( 0.377 3.178 -1.567) 3.563 10.950 ( -5.906 -3.920 -1.047) 7.166 10.950 ( 5.906 -3.920 -1.047) 7.166 12.441 ( -19.026 9.228 6.697) 22.181 12.441 ( 19.026 9.228 6.697) 22.181 13.371 ( -5.533 4.297 2.263) 7.362 13.371 ( 5.533 4.297 2.263) 7.362 13.856 ( -6.888 4.598 2.266) 8.586 13.856 ( 6.888 4.598 2.266) 8.586 14.552 ( -11.425 2.745 -3.507) 12.262 14.552 ( 11.425 2.745 -3.507) 12.262 ======================= Grid point 147 (53/100) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 20.024 11.639) 23.161 2.668 ( 0.000 17.146 21.917) 27.827 2.907 ( 0.000 -3.758 3.282) 4.989 3.097 ( 0.000 -3.399 -8.824) 9.456 3.488 ( 0.000 -5.137 -1.669) 5.402 3.506 ( 0.000 6.422 7.874) 10.160 3.932 ( 0.000 -11.435 1.088) 11.487 4.125 ( 0.000 1.696 9.911) 10.055 4.259 ( 0.000 21.561 -8.863) 23.311 4.306 ( 0.000 14.823 5.057) 15.662 4.465 ( 0.000 11.848 -1.913) 12.002 4.572 ( 0.000 -2.545 3.950) 4.699 4.782 ( 0.000 6.200 8.653) 10.645 5.152 ( 0.000 3.228 5.250) 6.163 5.196 ( 0.000 -10.635 13.872) 17.479 5.318 ( 0.000 1.036 -8.280) 8.345 5.438 ( 0.000 2.199 1.309) 2.559 5.632 ( 0.000 1.222 5.961) 6.085 5.744 ( 0.000 -20.520 -3.614) 20.836 5.826 ( 0.000 -24.155 2.556) 24.289 6.039 ( 0.000 -7.716 2.430) 8.090 6.180 ( 0.000 -10.220 3.223) 10.716 6.310 ( 0.000 -2.683 0.274) 2.697 6.467 ( 0.000 -18.957 -4.243) 19.426 6.584 ( 0.000 -8.479 -0.262) 8.483 6.800 ( 0.000 -2.351 -12.572) 12.789 7.085 ( 0.000 8.451 -4.827) 9.733 7.492 ( 0.000 -10.329 -5.886) 11.888 7.514 ( 0.000 -1.565 -13.950) 14.038 7.649 ( 0.000 -8.379 -5.546) 10.049 7.722 ( 0.000 -2.214 -5.403) 5.839 7.882 ( 0.000 -3.098 -19.256) 19.503 8.464 ( 0.000 15.741 13.824) 20.950 8.627 ( 0.000 5.376 5.684) 7.824 8.678 ( 0.000 -0.133 -0.730) 0.742 8.768 ( 0.000 5.189 -6.540) 8.348 8.942 ( 0.000 0.849 -6.714) 6.768 9.064 ( 0.000 -4.599 4.113) 6.170 9.104 ( 0.000 -6.337 -0.076) 6.338 9.257 ( 0.000 -13.423 5.617) 14.551 9.573 ( 0.000 2.833 6.622) 7.203 9.814 ( 0.000 -1.032 2.233) 2.460 9.922 ( 0.000 -6.008 -1.621) 6.223 9.977 ( 0.000 -1.276 -1.947) 2.328 10.019 ( 0.000 2.569 -3.288) 4.173 10.155 ( 0.000 -2.749 0.382) 2.776 10.435 ( 0.000 -0.086 -8.492) 8.492 10.437 ( 0.000 -1.438 -4.944) 5.149 10.873 ( 0.000 2.695 -6.540) 7.073 10.930 ( 0.000 6.045 -7.340) 9.508 10.976 ( 0.000 -3.602 -5.819) 6.844 11.159 ( 0.000 -2.614 -17.523) 17.717 12.426 ( 0.000 15.307 25.140) 29.434 12.927 ( 0.000 -5.122 13.239) 14.195 13.186 ( 0.000 8.619 17.661) 19.652 13.361 ( 0.000 -1.882 0.690) 2.005 13.942 ( 0.000 4.025 -3.104) 5.083 14.174 ( 0.000 -7.718 5.162) 9.285 14.511 ( 0.000 15.689 -14.799) 21.568 14.943 ( 0.000 -5.101 -12.474) 13.476 ======================= Grid point 148 (54/100) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.451 19.326 11.397) 22.441 2.729 ( 4.791 15.818 17.579) 24.128 2.871 ( -2.984 -0.439 -3.591) 4.689 3.071 ( -1.949 -2.213 -3.762) 4.780 3.408 ( -5.786 2.233 4.462) 7.640 3.502 ( -2.809 -1.099 3.084) 4.314 3.886 ( -5.758 -11.915 7.637) 15.279 4.022 ( -6.599 3.486 1.404) 7.595 4.318 ( 4.363 15.857 -8.757) 18.632 4.370 ( -4.596 12.396 1.469) 13.302 4.513 ( 14.283 9.585 11.595) 20.744 4.624 ( 6.438 0.628 -3.284) 7.254 4.885 ( 7.403 0.456 7.569) 10.598 5.043 ( -15.918 5.705 -0.586) 16.919 5.116 ( -5.688 -9.177 10.758) 15.241 5.252 ( -2.546 4.368 0.459) 5.077 5.421 ( 7.808 -2.882 3.899) 9.191 5.647 ( -6.499 -17.502 -3.888) 19.070 5.728 ( 0.614 -6.670 -7.619) 10.144 5.891 ( 3.005 -17.934 7.180) 19.550 6.067 ( -1.069 -5.087 -1.021) 5.297 6.175 ( 7.188 -2.741 3.371) 8.399 6.412 ( 3.000 3.323 0.295) 4.486 6.489 ( 3.365 -16.535 0.703) 16.888 6.640 ( 4.171 -18.089 -4.713) 19.153 6.837 ( 5.810 2.626 -1.257) 6.499 7.021 ( -5.392 5.464 -3.871) 8.597 7.417 ( -4.165 -9.069 -5.479) 11.385 7.514 ( -0.161 -6.967 -11.460) 13.413 7.572 ( -7.975 -0.701 -8.841) 11.927 7.763 ( 2.901 -8.508 -0.839) 9.028 7.961 ( 5.032 -3.568 -15.629) 16.803 8.415 ( -4.203 9.644 8.238) 13.362 8.620 ( 0.505 4.901 2.258) 5.420 8.703 ( 1.336 1.538 1.099) 2.315 8.768 ( -0.359 1.742 -4.185) 4.548 8.972 ( 2.763 0.653 -5.526) 6.213 9.083 ( 2.718 -5.656 5.282) 8.202 9.183 ( 6.341 -3.885 -0.865) 7.487 9.244 ( -0.272 -11.224 0.270) 11.230 9.572 ( 0.400 4.179 3.938) 5.756 9.831 ( 1.107 -3.408 1.760) 3.992 9.961 ( 3.248 -3.266 -1.676) 4.902 10.006 ( 1.182 -0.498 -6.039) 6.174 10.023 ( 2.955 1.054 0.008) 3.137 10.168 ( 1.411 -2.748 0.801) 3.192 10.397 ( -2.378 -0.524 -6.346) 6.797 10.452 ( 0.072 -1.757 -3.122) 3.583 10.854 ( -3.019 0.415 -4.338) 5.302 10.922 ( -0.651 2.609 -5.217) 5.870 10.980 ( 1.553 4.191 -9.828) 10.797 11.154 ( -1.848 -1.493 -20.047) 20.187 12.360 ( -3.951 11.572 25.461) 28.245 12.998 ( 2.562 -6.495 10.099) 12.277 13.170 ( -1.359 2.899 17.093) 17.390 13.316 ( -0.442 9.352 5.109) 10.666 14.019 ( 5.531 0.813 -4.938) 7.459 14.132 ( -4.022 -6.281 4.094) 8.508 14.469 ( -3.482 15.366 -13.002) 20.428 14.885 ( -5.717 -4.539 -11.177) 13.349 ======================= Grid point 149 (55/100) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 6.727 17.315 7.696) 20.107 2.783 ( -0.448 6.584 -1.212) 6.710 2.872 ( 4.847 9.528 3.370) 11.209 3.037 ( -2.089 1.698 0.837) 2.819 3.277 ( -7.907 6.606 7.484) 12.735 3.374 ( -10.460 -0.600 -0.352) 10.483 3.804 ( 0.480 -0.297 9.348) 9.365 3.962 ( 1.499 -7.430 3.554) 8.371 4.232 ( -8.417 -1.346 7.196) 11.155 4.389 ( -0.290 7.269 -5.532) 9.139 4.595 ( -9.780 2.058 1.095) 10.054 4.813 ( -2.387 2.647 -7.750) 8.531 4.858 ( 9.708 8.222 11.569) 17.196 4.907 ( 3.317 -6.204 -4.766) 8.497 5.152 ( 5.680 -7.598 -2.482) 9.805 5.284 ( 4.726 2.947 -1.039) 5.666 5.525 ( -0.364 -0.863 0.123) 0.944 5.592 ( 6.334 -5.809 6.308) 10.661 5.713 ( -1.918 -9.914 -3.875) 10.816 5.937 ( 3.238 -7.417 4.058) 9.054 6.032 ( -2.698 -6.226 -0.330) 6.793 6.281 ( -13.880 8.786 2.854) 16.673 6.342 ( 7.770 4.381 0.112) 8.921 6.544 ( 1.605 -10.841 -0.003) 10.959 6.763 ( 4.175 -15.164 -0.326) 15.732 6.900 ( 2.702 8.017 4.706) 9.681 7.077 ( 9.731 -5.170 3.232) 11.483 7.338 ( -3.307 -8.189 -6.878) 11.194 7.391 ( -7.762 2.367 -9.335) 12.369 7.561 ( 0.798 -14.290 -1.699) 14.413 7.761 ( -0.799 -10.805 -1.612) 10.954 7.988 ( -3.187 -7.399 -8.716) 11.869 8.372 ( 1.204 0.016 0.198) 1.220 8.621 ( -7.048 -1.003 4.784) 8.577 8.688 ( 3.780 4.719 -1.859) 6.326 8.784 ( 1.161 0.461 -0.471) 1.335 9.040 ( 4.158 -1.683 -4.830) 6.591 9.125 ( 0.771 -5.005 2.718) 5.748 9.273 ( 4.152 -5.031 -5.888) 8.788 9.311 ( 4.983 -2.875 -1.673) 5.992 9.606 ( 3.691 4.262 -2.000) 5.982 9.818 ( -3.278 -3.650 -2.184) 5.370 10.004 ( 1.423 0.515 -2.507) 2.928 10.021 ( 0.900 -0.129 -6.479) 6.543 10.138 ( 7.200 0.030 -0.587) 7.224 10.222 ( 4.727 -3.220 2.356) 6.186 10.350 ( -2.497 0.280 -4.360) 5.032 10.442 ( -1.335 -4.170 2.202) 4.901 10.778 ( -2.917 -0.049 -1.223) 3.164 10.921 ( -0.964 4.194 -5.528) 7.005 11.005 ( 0.255 5.417 -13.136) 14.212 11.060 ( -6.716 1.071 -18.180) 19.410 12.374 ( 6.336 7.600 20.638) 22.887 12.850 ( -13.963 -1.895 7.398) 15.915 13.265 ( 8.331 -0.633 19.929) 21.610 13.373 ( 4.254 7.448 7.991) 11.723 14.016 ( -4.782 0.905 0.410) 4.884 14.074 ( -3.568 1.606 -10.038) 10.773 14.455 ( 3.779 8.756 -7.179) 11.937 14.747 ( -8.407 -2.903 -8.415) 12.244 ======================= Grid point 150 (56/100) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -7.871 11.583 1.302) 14.064 2.706 ( 7.871 11.583 1.302) 14.064 2.986 ( -4.956 7.026 1.631) 8.752 2.986 ( 4.956 7.026 1.631) 8.752 3.200 ( -3.949 4.568 3.915) 7.196 3.200 ( 3.949 4.568 3.915) 7.196 3.933 ( -9.362 -0.421 6.390) 11.343 3.933 ( 9.362 -0.421 6.390) 11.343 4.196 ( -9.586 -9.354 5.802) 14.597 4.196 ( 9.586 -9.354 5.802) 14.597 4.647 ( -9.620 6.551 -4.114) 12.344 4.647 ( 9.620 6.551 -4.114) 12.344 4.970 ( -2.959 -1.144 -3.359) 4.620 4.970 ( 2.959 -1.144 -3.359) 4.620 5.279 ( -5.643 -9.300 -8.285) 13.674 5.279 ( 5.643 -9.300 -8.285) 13.674 5.598 ( -6.065 -3.851 3.788) 8.122 5.598 ( 6.065 -3.851 3.788) 8.122 5.846 ( -14.530 6.281 1.849) 15.937 5.846 ( 14.530 6.281 1.849) 15.937 6.055 ( -7.301 -1.628 9.085) 11.768 6.055 ( 7.301 -1.628 9.085) 11.768 6.479 ( -6.861 1.888 -3.593) 7.972 6.479 ( 6.861 1.888 -3.593) 7.972 6.875 ( -7.095 -9.625 6.002) 13.379 6.875 ( 7.095 -9.625 6.002) 13.379 7.226 ( -7.918 9.237 -4.370) 12.928 7.226 ( 7.918 9.237 -4.370) 12.928 7.447 ( -10.347 -18.544 -1.075) 21.262 7.447 ( 10.347 -18.544 -1.075) 21.262 7.859 ( -8.914 -11.695 -5.122) 15.571 7.859 ( 8.914 -11.695 -5.122) 15.571 8.462 ( -7.639 -3.659 2.385) 8.799 8.462 ( 7.639 -3.659 2.385) 8.799 8.768 ( -3.033 3.659 -1.215) 4.905 8.768 ( 3.033 3.659 -1.215) 4.905 9.108 ( -2.540 -3.682 -2.881) 5.321 9.108 ( 2.540 -3.682 -2.881) 5.321 9.341 ( -1.874 -2.763 -2.691) 4.289 9.341 ( 1.874 -2.763 -2.691) 4.289 9.714 ( -6.823 0.421 -5.864) 9.007 9.714 ( 6.823 0.421 -5.864) 9.007 10.024 ( -0.584 0.277 -4.460) 4.507 10.024 ( 0.584 0.277 -4.460) 4.507 10.252 ( -4.229 0.544 -1.722) 4.599 10.252 ( 4.229 0.544 -1.722) 4.599 10.372 ( -5.765 -3.603 2.924) 7.400 10.372 ( 5.765 -3.603 2.924) 7.400 10.816 ( -6.958 0.662 -2.949) 7.586 10.816 ( 6.958 0.662 -2.949) 7.586 11.004 ( -1.033 5.018 -14.297) 15.187 11.004 ( 1.033 5.018 -14.297) 15.187 12.576 ( -13.847 4.055 12.589) 19.148 12.576 ( 13.847 4.055 12.589) 19.148 13.392 ( -3.554 -0.794 15.359) 15.785 13.392 ( 3.554 -0.794 15.359) 15.785 13.986 ( -2.894 6.316 -7.753) 10.410 13.986 ( 2.894 6.316 -7.753) 10.410 14.584 ( -8.492 0.587 -6.218) 10.542 14.584 ( 8.492 0.587 -6.218) 10.542 ======================= Grid point 154 (57/100) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 0.000 -8.613 7.536) 11.445 2.807 ( 0.000 8.613 7.536) 11.445 2.966 ( 0.000 -10.402 7.664) 12.920 2.966 ( 0.000 10.402 7.664) 12.920 3.456 ( 0.000 -4.127 -3.609) 5.483 3.456 ( 0.000 4.127 -3.609) 5.483 3.978 ( 0.000 -9.610 9.123) 13.251 3.978 ( 0.000 9.610 9.123) 13.251 4.479 ( 0.000 -4.433 -0.562) 4.468 4.479 ( 0.000 4.433 -0.562) 4.468 4.610 ( 0.000 -6.778 -3.159) 7.478 4.610 ( 0.000 6.778 -3.159) 7.478 4.969 ( 0.000 -13.539 12.471) 18.407 4.969 ( 0.000 13.539 12.471) 18.407 5.324 ( 0.000 -5.464 4.066) 6.811 5.324 ( 0.000 5.464 4.066) 6.811 5.432 ( 0.000 -5.775 -11.179) 12.582 5.432 ( 0.000 5.775 -11.179) 12.582 5.640 ( 0.000 -5.159 9.066) 10.431 5.640 ( 0.000 5.159 9.066) 10.431 5.987 ( 0.000 -13.354 4.713) 14.162 5.987 ( 0.000 13.354 4.713) 14.162 6.165 ( 0.000 -2.722 0.737) 2.820 6.165 ( 0.000 2.722 0.737) 2.820 6.714 ( 0.000 -8.144 -6.841) 10.636 6.714 ( 0.000 8.144 -6.841) 10.636 7.248 ( 0.000 -9.273 -2.990) 9.743 7.248 ( 0.000 9.273 -2.990) 9.743 7.508 ( 0.000 -0.561 -11.469) 11.483 7.508 ( 0.000 0.561 -11.469) 11.483 7.799 ( 0.000 -3.489 -16.882) 17.239 7.799 ( 0.000 3.489 -16.882) 17.239 8.689 ( 0.000 -0.006 8.472) 8.472 8.689 ( 0.000 0.006 8.472) 8.472 8.795 ( 0.000 -8.684 4.273) 9.678 8.795 ( 0.000 8.684 4.273) 9.678 8.991 ( 0.000 -0.859 0.257) 0.897 8.991 ( 0.000 0.859 0.257) 0.897 9.001 ( 0.000 -4.209 -3.272) 5.332 9.001 ( 0.000 4.209 -3.272) 5.332 9.676 ( 0.000 -7.327 2.815) 7.849 9.676 ( 0.000 7.327 2.815) 7.849 9.931 ( 0.000 -2.702 -1.444) 3.064 9.931 ( 0.000 2.702 -1.444) 3.064 10.090 ( 0.000 -3.355 0.561) 3.402 10.090 ( 0.000 3.355 0.561) 3.402 10.427 ( 0.000 -0.052 -7.758) 7.758 10.427 ( 0.000 0.052 -7.758) 7.758 10.914 ( 0.000 -1.186 -6.864) 6.966 10.914 ( 0.000 1.186 -6.864) 6.966 11.079 ( 0.000 -5.477 -13.553) 14.618 11.079 ( 0.000 5.477 -13.553) 14.618 12.717 ( 0.000 -11.973 19.011) 22.468 12.717 ( 0.000 11.973 19.011) 22.468 13.324 ( 0.000 -2.905 10.580) 10.972 13.324 ( 0.000 2.905 10.580) 10.972 14.033 ( 0.000 -5.565 -0.377) 5.578 14.033 ( 0.000 5.565 -0.377) 5.578 14.782 ( 0.000 -10.696 -13.834) 17.486 14.782 ( 0.000 10.696 -13.834) 17.486 ======================= Grid point 156 (58/100) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.187 0.000 4.147) 4.151 2.827 ( -2.731 0.000 10.566) 10.913 2.969 ( -1.435 0.000 -3.412) 3.702 3.015 ( 6.365 -0.000 6.028) 8.766 3.349 ( -4.179 0.000 4.026) 5.803 3.505 ( -1.487 0.000 1.099) 1.849 3.766 ( -8.927 0.000 8.890) 12.598 4.116 ( 1.073 0.000 5.482) 5.586 4.391 ( -10.519 0.000 3.076) 10.960 4.498 ( 0.201 0.000 -6.612) 6.615 4.636 ( 8.617 -0.000 1.777) 8.799 4.731 ( 9.763 0.000 0.260) 9.766 4.886 ( -4.375 0.000 0.872) 4.461 5.022 ( -0.337 0.000 21.637) 21.640 5.117 ( -21.952 0.000 -8.446) 23.521 5.298 ( 1.989 0.000 0.012) 1.989 5.377 ( -1.340 0.000 -6.383) 6.522 5.475 ( 3.156 0.000 5.399) 6.254 5.546 ( 4.405 0.000 -1.979) 4.829 5.839 ( 5.656 0.000 0.689) 5.698 6.010 ( 3.604 -0.000 5.381) 6.476 6.091 ( -1.972 0.000 0.477) 2.029 6.208 ( 17.426 0.000 8.286) 19.296 6.374 ( 15.099 0.000 3.275) 15.450 6.575 ( -7.205 0.000 -8.746) 11.331 6.859 ( 5.693 0.000 -0.012) 5.693 7.167 ( -3.054 -0.000 1.556) 3.428 7.219 ( -9.555 0.000 -8.402) 12.724 7.347 ( 0.654 -0.000 -5.882) 5.918 7.592 ( -8.985 0.000 -17.713) 19.862 7.750 ( 5.356 -0.000 -6.436) 8.374 7.900 ( 2.600 0.000 -15.768) 15.981 8.593 ( -12.354 -0.000 13.787) 18.512 8.681 ( 1.010 0.000 1.328) 1.669 8.716 ( -0.319 0.000 5.642) 5.651 8.780 ( -6.626 0.000 -2.814) 7.199 8.966 ( 3.963 0.000 11.181) 11.863 8.999 ( 1.643 0.000 -6.899) 7.092 9.099 ( 8.100 0.000 -9.724) 12.656 9.145 ( 7.808 0.000 -1.632) 7.976 9.676 ( 0.318 -0.000 -0.166) 0.359 9.703 ( 2.165 0.000 3.113) 3.792 9.965 ( 2.525 0.000 -1.352) 2.865 9.978 ( 5.234 -0.000 -2.943) 6.005 10.051 ( -1.078 0.000 1.278) 1.672 10.131 ( 2.177 0.000 0.661) 2.275 10.386 ( -2.611 0.000 -6.655) 7.149 10.435 ( -0.568 0.000 -4.774) 4.807 10.855 ( -4.075 0.000 -4.667) 6.195 10.946 ( 1.655 0.000 -6.658) 6.860 11.072 ( 0.884 -0.000 -13.879) 13.907 11.120 ( 0.769 0.000 -19.785) 19.800 12.499 ( -8.669 0.000 22.853) 24.442 12.893 ( 3.769 0.000 13.573) 14.086 13.209 ( -2.916 0.000 16.722) 16.974 13.430 ( 3.720 0.000 9.962) 10.634 14.035 ( 0.578 -0.000 -3.169) 3.221 14.045 ( 0.696 0.000 -1.233) 1.416 14.732 ( -4.709 0.000 -12.282) 13.154 14.736 ( -4.603 -0.000 -12.865) 13.664 ======================= Grid point 158 (59/100) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 0.404 -0.000 6.543) 6.555 2.809 ( 4.373 0.000 -0.317) 4.385 2.952 ( 1.671 0.000 -8.396) 8.561 3.112 ( 2.014 0.000 1.783) 2.690 3.287 ( -3.401 0.000 9.235) 9.842 3.401 ( -8.267 0.000 7.152) 10.931 3.726 ( 6.664 0.000 9.329) 11.464 4.034 ( -6.307 0.000 4.890) 7.981 4.183 ( -10.237 -0.000 4.633) 11.237 4.432 ( -12.922 0.000 -3.396) 13.361 4.708 ( -9.490 -0.000 0.454) 9.501 4.787 ( -0.946 0.000 -1.253) 1.570 4.825 ( 4.818 0.000 0.683) 4.866 4.972 ( 3.840 0.000 7.412) 8.347 5.018 ( 6.841 0.000 -7.448) 10.113 5.321 ( -4.469 0.000 -11.229) 12.086 5.422 ( 7.093 -0.000 3.206) 7.784 5.510 ( 0.756 0.000 5.964) 6.012 5.676 ( 8.708 0.000 -5.839) 10.484 5.932 ( 1.421 0.000 -2.224) 2.639 6.087 ( 3.911 -0.000 3.894) 5.519 6.118 ( 8.121 0.000 7.650) 11.157 6.429 ( -8.641 0.000 -4.227) 9.619 6.440 ( 2.565 -0.000 6.778) 7.247 6.705 ( 18.449 0.000 4.260) 18.934 6.853 ( -1.093 -0.000 -0.023) 1.093 7.133 ( -1.381 0.000 8.141) 8.257 7.214 ( 5.190 0.000 0.590) 5.223 7.326 ( -1.477 -0.000 -4.147) 4.402 7.412 ( -7.092 0.000 -13.013) 14.820 7.778 ( -2.878 0.000 -6.981) 7.551 7.857 ( -8.280 0.000 -6.320) 10.417 8.391 ( -5.286 -0.000 4.589) 7.000 8.573 ( -9.895 0.000 3.312) 10.434 8.748 ( 4.430 0.000 1.501) 4.677 8.777 ( 2.257 0.000 1.214) 2.563 9.034 ( 1.852 0.000 -5.763) 6.054 9.037 ( 2.809 -0.000 1.846) 3.362 9.254 ( 7.072 -0.000 -9.139) 11.556 9.276 ( 5.589 0.000 -3.857) 6.791 9.687 ( 1.008 -0.000 -5.067) 5.166 9.735 ( 0.445 0.000 -0.563) 0.717 10.008 ( 1.837 0.000 -1.828) 2.591 10.026 ( 0.082 0.000 -3.478) 3.479 10.135 ( 8.438 0.000 0.125) 8.439 10.189 ( 4.277 0.000 2.047) 4.742 10.341 ( -1.966 0.000 -4.073) 4.523 10.405 ( -2.709 0.000 -0.791) 2.822 10.785 ( -2.175 0.000 -2.788) 3.535 10.965 ( -1.485 0.000 -6.163) 6.339 11.066 ( -4.737 0.000 -21.908) 22.414 11.084 ( -0.151 0.000 -16.593) 16.594 12.454 ( 4.235 0.000 21.250) 21.668 12.818 ( -9.306 0.000 11.347) 14.675 13.260 ( 6.174 0.000 21.094) 21.979 13.453 ( -1.497 0.000 13.794) 13.875 14.050 ( 0.774 0.000 -7.630) 7.669 14.054 ( 0.331 -0.000 -6.216) 6.225 14.635 ( -4.619 0.000 -8.945) 10.067 14.638 ( -4.815 -0.000 -9.703) 10.832 ======================= Grid point 160 (60/100) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( -1.957 0.000 -0.499) 2.019 2.832 ( 1.957 0.000 -0.499) 2.019 3.054 ( -6.934 0.000 -3.248) 7.657 3.054 ( 6.934 0.000 -3.248) 7.657 3.273 ( -3.465 -0.000 10.298) 10.865 3.273 ( 3.465 0.000 10.298) 10.865 3.953 ( -8.268 0.000 3.118) 8.837 3.953 ( 8.268 0.000 3.118) 8.837 4.094 ( -9.032 -0.000 7.750) 11.901 4.094 ( 9.032 0.000 7.750) 11.901 4.711 ( -4.052 0.000 -6.799) 7.915 4.711 ( 4.052 -0.000 -6.799) 7.915 4.935 ( -4.084 0.000 6.664) 7.816 4.935 ( 4.084 0.000 6.664) 7.816 5.204 ( -8.190 0.000 -12.877) 15.261 5.204 ( 8.190 0.000 -12.877) 15.261 5.505 ( -1.734 0.000 4.848) 5.149 5.505 ( 1.734 0.000 4.848) 5.149 5.847 ( -8.295 0.000 -4.756) 9.561 5.847 ( 8.295 0.000 -4.756) 9.561 6.247 ( -10.119 -0.000 1.611) 10.246 6.247 ( 10.119 0.000 1.611) 10.246 6.311 ( -11.169 0.000 7.798) 13.622 6.311 ( 11.169 -0.000 7.798) 13.622 6.916 ( -1.550 0.000 3.208) 3.563 6.916 ( 1.550 0.000 3.208) 3.563 7.142 ( -6.748 -0.000 -3.973) 7.831 7.142 ( 6.748 0.000 -3.973) 7.831 7.383 ( -0.010 0.000 10.336) 10.336 7.383 ( 0.010 0.000 10.336) 10.336 7.711 ( -0.597 0.000 -11.347) 11.362 7.711 ( 0.597 0.000 -11.347) 11.362 8.416 ( -6.049 0.000 1.967) 6.361 8.416 ( 6.049 0.000 1.967) 6.361 8.800 ( -0.561 0.000 1.549) 1.647 8.800 ( 0.561 0.000 1.549) 1.647 9.060 ( -0.411 0.000 -3.453) 3.477 9.060 ( 0.411 0.000 -3.453) 3.477 9.330 ( -0.472 0.000 -5.999) 6.018 9.330 ( 0.472 0.000 -5.999) 6.018 9.716 ( -1.848 0.000 -5.964) 6.243 9.716 ( 1.848 0.000 -5.964) 6.243 10.027 ( -0.223 0.000 -2.814) 2.823 10.027 ( 0.223 0.000 -2.814) 2.823 10.251 ( -1.538 0.000 0.944) 1.804 10.251 ( 1.538 0.000 0.944) 1.804 10.335 ( -3.238 0.000 -1.004) 3.390 10.335 ( 3.238 0.000 -1.004) 3.390 10.832 ( -7.642 0.000 -6.020) 9.728 10.832 ( 7.642 0.000 -6.020) 9.728 11.062 ( -1.849 0.000 -16.853) 16.954 11.062 ( 1.849 0.000 -16.853) 16.954 12.615 ( -11.087 0.000 15.087) 18.722 12.615 ( 11.087 0.000 15.087) 18.722 13.380 ( -5.747 0.000 18.804) 19.662 13.380 ( 5.747 0.000 18.804) 19.662 14.058 ( -0.048 0.000 -9.996) 9.996 14.058 ( 0.048 0.000 -9.996) 9.996 14.587 ( -0.070 0.000 -7.159) 7.160 14.587 ( 0.070 0.000 -7.159) 7.160 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 0.000 21.194) 21.194 1.991 ( 0.000 0.000 30.383) 30.383 2.666 ( 0.000 0.000 -19.923) 19.923 2.994 ( 0.000 0.000 -17.732) 17.732 3.348 ( 0.000 0.000 -2.188) 2.188 3.507 ( 0.000 0.000 15.952) 15.952 3.687 ( 0.000 0.000 -16.906) 16.906 3.921 ( 0.000 0.000 46.198) 46.198 4.311 ( 0.000 0.000 -24.627) 24.627 4.596 ( 0.000 0.000 13.995) 13.995 4.620 ( 0.000 0.000 4.414) 4.414 4.642 ( 0.000 0.000 11.028) 11.028 4.744 ( 0.000 0.000 -4.465) 4.465 5.175 ( 0.000 0.000 -12.391) 12.391 5.371 ( 0.000 0.000 16.226) 16.226 5.443 ( 0.000 0.000 6.137) 6.137 5.575 ( 0.000 0.000 -2.858) 2.858 5.699 ( 0.000 0.000 4.420) 4.420 5.963 ( 0.000 0.000 -13.010) 13.010 6.068 ( 0.000 0.000 -20.292) 20.292 6.147 ( 0.000 0.000 -2.425) 2.425 6.341 ( 0.000 0.000 13.305) 13.305 6.342 ( 0.000 0.000 -13.465) 13.465 6.803 ( 0.000 0.000 16.502) 16.502 6.996 ( 0.000 0.000 -16.505) 16.505 7.347 ( 0.000 0.000 -7.945) 7.945 7.452 ( 0.000 0.000 15.997) 15.997 7.744 ( 0.000 0.000 -0.791) 0.791 7.808 ( 0.000 0.000 -4.581) 4.581 7.838 ( 0.000 0.000 -15.938) 15.938 7.866 ( 0.000 0.000 -12.872) 12.872 7.906 ( 0.000 0.000 15.246) 15.246 8.112 ( 0.000 0.000 -9.399) 9.399 8.430 ( 0.000 0.000 -7.919) 7.919 8.722 ( 0.000 0.000 8.956) 8.956 8.806 ( 0.000 0.000 2.729) 2.729 8.919 ( 0.000 0.000 -8.660) 8.660 9.075 ( 0.000 0.000 -6.796) 6.796 9.259 ( 0.000 0.000 2.386) 2.386 9.536 ( 0.000 0.000 -11.037) 11.037 9.657 ( 0.000 0.000 6.559) 6.559 9.743 ( 0.000 0.000 2.090) 2.090 9.791 ( 0.000 0.000 -1.813) 1.813 9.802 ( 0.000 0.000 -2.366) 2.366 10.245 ( 0.000 0.000 -3.609) 3.609 10.250 ( 0.000 0.000 4.269) 4.269 10.321 ( 0.000 0.000 -0.755) 0.755 10.345 ( 0.000 0.000 -8.208) 8.208 11.021 ( 0.000 0.000 4.425) 4.425 11.037 ( 0.000 0.000 18.449) 18.449 11.228 ( 0.000 0.000 -5.781) 5.781 11.891 ( 0.000 0.000 -21.480) 21.480 12.110 ( 0.000 0.000 27.382) 27.382 12.440 ( 0.000 0.000 27.370) 27.370 13.224 ( 0.000 0.000 -24.847) 24.847 13.268 ( 0.000 0.000 14.407) 14.407 13.328 ( 0.000 0.000 -16.087) 16.087 13.612 ( 0.000 0.000 -3.033) 3.033 14.711 ( 0.000 0.000 10.137) 10.137 14.954 ( 0.000 0.000 -2.136) 2.136 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 9.423 0.000 19.467) 21.628 2.149 ( 15.725 0.000 27.101) 31.333 2.680 ( 3.161 0.000 -16.420) 16.722 3.065 ( 5.645 0.000 -11.850) 13.126 3.349 ( -1.572 0.000 0.217) 1.586 3.559 ( 6.713 0.000 8.902) 11.149 3.681 ( -4.002 0.000 -15.014) 15.538 3.922 ( -0.765 0.000 39.335) 39.342 4.218 ( -20.982 0.000 6.159) 21.867 4.377 ( 2.083 0.000 -20.324) 20.431 4.557 ( -8.148 0.000 -3.065) 8.706 4.645 ( 3.751 0.000 15.878) 16.315 4.933 ( 3.039 0.000 -8.467) 8.996 5.101 ( -0.583 0.000 -5.815) 5.844 5.232 ( -5.982 0.000 14.761) 15.927 5.557 ( -1.702 0.000 -3.856) 4.215 5.623 ( 9.103 0.000 13.875) 16.595 5.750 ( 1.403 0.000 -11.592) 11.676 5.816 ( -7.878 0.000 -1.400) 8.002 5.888 ( -12.483 0.000 5.606) 13.684 6.026 ( -3.511 0.000 -16.705) 17.070 6.548 ( 14.880 0.000 -19.487) 24.518 6.584 ( -10.598 0.000 7.817) 13.169 6.713 ( 11.766 0.000 17.974) 21.483 6.974 ( -3.787 0.000 -12.384) 12.950 7.334 ( -5.149 0.000 12.623) 13.633 7.357 ( 5.671 0.000 -6.928) 8.954 7.568 ( -9.198 0.000 0.346) 9.205 7.767 ( -7.000 0.000 -15.789) 17.271 7.925 ( -8.918 0.000 -11.490) 14.545 7.962 ( 6.801 0.000 -4.813) 8.332 8.026 ( 7.154 0.000 16.538) 18.019 8.071 ( 12.589 0.000 -14.993) 19.577 8.591 ( 9.399 0.000 -9.011) 13.021 8.676 ( -4.956 0.000 9.115) 10.375 8.898 ( -1.884 0.000 -6.112) 6.396 8.917 ( 10.660 0.000 3.293) 11.157 9.120 ( 5.516 0.000 -6.339) 8.403 9.319 ( 5.586 0.000 1.569) 5.803 9.541 ( 0.687 0.000 -9.764) 9.788 9.610 ( -3.054 0.000 3.440) 4.600 9.705 ( -2.832 0.000 -1.067) 3.026 9.822 ( 0.156 0.000 -0.195) 0.249 9.856 ( 4.655 0.000 -1.291) 4.831 10.243 ( 1.348 0.000 -1.657) 2.136 10.258 ( -3.423 0.000 -2.701) 4.361 10.303 ( 4.018 0.000 1.536) 4.302 10.390 ( 1.493 0.000 -4.611) 4.846 10.931 ( -2.272 0.000 11.465) 11.688 11.187 ( 9.347 0.000 14.080) 16.900 11.270 ( 5.882 0.000 -6.788) 8.981 11.985 ( 8.824 0.000 -21.271) 23.029 12.028 ( -8.678 0.000 27.815) 29.137 12.251 ( -16.687 0.000 25.723) 30.661 13.037 ( -20.646 0.000 -13.161) 24.484 13.159 ( -7.723 0.000 -24.422) 25.614 13.441 ( 15.417 0.000 14.882) 21.428 13.850 ( 16.371 0.000 -5.866) 17.390 14.633 ( -8.038 0.000 10.353) 13.107 14.876 ( -7.810 0.000 -1.596) 7.971 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 19.054 0.000 16.206) 25.014 2.527 ( 22.782 0.000 16.489) 28.123 2.853 ( 16.191 0.000 -5.421) 17.074 3.001 ( -14.247 0.000 7.517) 16.108 3.432 ( -21.433 0.000 -5.757) 22.193 3.449 ( 13.891 0.000 -2.359) 14.090 3.713 ( 8.642 0.000 -2.521) 9.002 3.769 ( -25.478 0.000 9.712) 27.267 3.859 ( -5.779 0.000 23.886) 24.575 4.299 ( -18.092 0.000 -10.692) 21.015 4.499 ( 9.319 0.000 -27.600) 29.131 4.882 ( 20.936 0.000 18.258) 27.779 4.889 ( -5.498 0.000 -18.956) 19.738 5.167 ( 6.488 0.000 -8.488) 10.683 5.192 ( 1.407 0.000 13.974) 14.045 5.433 ( -9.107 0.000 5.982) 10.896 5.629 ( -11.171 0.000 -2.164) 11.379 5.715 ( -10.270 0.000 3.362) 10.806 5.794 ( 8.242 0.000 17.295) 19.159 5.813 ( 4.783 0.000 -13.460) 14.284 5.991 ( -0.943 0.000 -11.062) 11.102 6.203 ( -19.932 0.000 21.458) 29.287 6.770 ( 7.254 0.000 -21.025) 22.241 6.909 ( -1.594 0.000 -12.112) 12.216 6.957 ( 8.703 0.000 14.937) 17.287 7.247 ( -7.341 0.000 6.803) 10.008 7.470 ( 1.393 0.000 -1.136) 1.797 7.560 ( 10.254 0.000 -1.798) 10.410 7.628 ( -5.653 0.000 -6.749) 8.804 7.873 ( 6.967 0.000 -26.520) 27.420 7.974 ( -5.078 0.000 -1.009) 5.177 8.168 ( 8.467 0.000 13.326) 15.788 8.242 ( 1.697 0.000 -17.565) 17.646 8.538 ( -9.380 0.000 10.367) 13.981 8.686 ( 2.855 0.000 -10.829) 11.199 8.856 ( -3.065 0.000 -4.701) 5.612 9.132 ( 10.558 0.000 5.455) 11.884 9.306 ( 13.288 0.000 -2.857) 13.592 9.385 ( -1.337 0.000 4.959) 5.136 9.566 ( 1.864 0.000 -7.071) 7.312 9.625 ( 6.614 0.000 -3.869) 7.662 9.650 ( -2.902 0.000 -3.845) 4.817 9.768 ( -6.060 0.000 1.189) 6.175 9.897 ( -1.738 0.000 -4.348) 4.683 10.232 ( 1.513 0.000 -0.720) 1.676 10.294 ( 3.617 0.000 -3.154) 4.799 10.372 ( 1.976 0.000 -0.810) 2.135 10.377 ( -2.808 0.000 -2.420) 3.707 10.992 ( 10.038 0.000 16.674) 19.462 11.371 ( 9.118 0.000 16.061) 18.469 11.493 ( 17.749 0.000 -8.854) 19.834 11.773 ( -17.567 0.000 28.658) 33.613 11.931 ( -15.229 0.000 24.157) 28.557 12.132 ( 1.574 0.000 -18.523) 18.590 12.674 ( -12.670 0.000 -15.273) 19.845 12.963 ( -12.607 0.000 -24.416) 27.479 13.770 ( 18.492 0.000 14.048) 23.223 14.152 ( 15.513 0.000 -4.852) 16.254 14.420 ( -14.207 0.000 11.116) 18.039 14.683 ( -12.178 0.000 -1.499) 12.269 ======================= Grid point 192 (64/100) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -21.536 0.000 13.258) 25.290 2.645 ( 21.536 0.000 13.258) 25.290 2.976 ( -24.755 0.000 3.075) 24.945 2.976 ( 24.755 0.000 3.075) 24.945 3.271 ( -26.116 0.000 6.768) 26.979 3.271 ( 26.116 0.000 6.768) 26.979 3.710 ( -10.465 0.000 12.253) 16.114 3.710 ( 10.465 0.000 12.253) 16.114 3.942 ( -17.175 0.000 -13.004) 21.543 3.942 ( 17.175 0.000 -13.004) 21.543 4.708 ( -11.916 0.000 -28.221) 30.633 4.708 ( 11.916 0.000 -28.221) 30.633 5.254 ( -3.381 0.000 8.745) 9.376 5.254 ( 3.381 0.000 8.745) 9.376 5.374 ( -20.429 0.000 13.681) 24.587 5.374 ( 20.429 0.000 13.681) 24.587 5.378 ( -14.027 0.000 -4.745) 14.808 5.378 ( 14.027 0.000 -4.745) 14.808 5.931 ( -5.716 0.000 -11.277) 12.643 5.931 ( 5.716 0.000 -11.277) 12.643 5.948 ( -8.746 0.000 21.434) 23.150 5.948 ( 8.746 0.000 21.434) 23.150 6.863 ( -4.089 0.000 -16.030) 16.544 6.863 ( 4.089 0.000 -16.030) 16.544 7.098 ( -7.508 0.000 9.694) 12.262 7.098 ( 7.508 0.000 9.694) 12.262 7.515 ( -5.410 0.000 -5.816) 7.943 7.515 ( 5.410 0.000 -5.816) 7.943 7.804 ( -12.372 0.000 -1.398) 12.450 7.804 ( 12.372 0.000 -1.398) 12.450 8.110 ( -13.255 0.000 -21.380) 25.156 8.110 ( 13.255 0.000 -21.380) 25.156 8.345 ( -10.293 0.000 11.790) 15.651 8.345 ( 10.293 0.000 11.790) 15.651 8.771 ( -5.487 0.000 -7.998) 9.699 8.771 ( 5.487 0.000 -7.998) 9.699 9.296 ( -6.916 0.000 6.396) 9.421 9.296 ( 6.916 0.000 6.396) 9.421 9.543 ( -8.955 0.000 -4.700) 10.114 9.543 ( 8.955 0.000 -4.700) 10.114 9.637 ( -4.488 0.000 -0.462) 4.512 9.637 ( 4.488 0.000 -0.462) 4.512 9.790 ( -8.568 0.000 -5.962) 10.438 9.790 ( 8.568 0.000 -5.962) 10.438 10.301 ( -4.672 0.000 -0.767) 4.735 10.301 ( 4.672 0.000 -0.767) 4.735 10.359 ( -2.747 0.000 -3.074) 4.122 10.359 ( 2.747 0.000 -3.074) 4.122 11.288 ( -18.414 0.000 19.550) 26.856 11.288 ( 18.414 0.000 19.550) 26.856 11.681 ( -10.526 0.000 25.041) 27.164 11.681 ( 10.526 0.000 25.041) 27.164 11.890 ( -21.875 0.000 -11.130) 24.544 11.890 ( 21.875 0.000 -11.130) 24.544 12.716 ( -11.984 0.000 -22.856) 25.807 12.716 ( 11.984 0.000 -22.856) 25.807 14.115 ( -17.679 0.000 12.481) 21.641 14.115 ( 17.679 0.000 12.481) 21.641 14.432 ( -14.166 0.000 -2.906) 14.461 14.432 ( 14.166 0.000 -2.906) 14.461 ======================= Grid point 196 (65/100) ======================= q-point: ( 0.00 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 12.828 18.909) 22.849 2.255 ( 0.000 22.955 25.917) 34.621 2.721 ( 0.000 5.017 -17.626) 18.326 3.066 ( 0.000 4.726 -10.110) 11.160 3.317 ( 0.000 -0.151 -5.574) 5.576 3.532 ( 0.000 2.036 13.239) 13.395 3.627 ( 0.000 -4.672 -13.316) 14.112 3.978 ( 0.000 5.059 34.934) 35.298 4.220 ( 0.000 -8.331 -19.164) 20.896 4.396 ( 0.000 -8.465 13.904) 16.278 4.556 ( 0.000 -5.659 1.267) 5.800 4.763 ( 0.000 2.035 5.298) 5.675 4.792 ( 0.000 4.611 1.439) 4.831 5.121 ( 0.000 -3.389 -3.739) 5.047 5.346 ( 0.000 -2.218 13.785) 13.962 5.498 ( 0.000 -1.732 2.344) 2.915 5.516 ( 0.000 4.692 1.577) 4.950 5.865 ( 0.000 9.384 4.605) 10.453 5.956 ( 0.000 0.329 -12.655) 12.659 5.989 ( 0.000 -6.190 -9.413) 11.266 6.247 ( 0.000 6.841 -9.670) 11.845 6.309 ( 0.000 -2.638 -16.269) 16.481 6.377 ( 0.000 1.179 13.764) 13.815 6.787 ( 0.000 -0.456 11.421) 11.430 7.015 ( 0.000 -3.555 -5.422) 6.484 7.200 ( 0.000 -11.265 -2.587) 11.559 7.431 ( 0.000 -3.871 5.771) 6.949 7.518 ( 0.000 -19.895 -1.877) 19.984 7.541 ( 0.000 -7.849 -17.363) 19.055 7.606 ( 0.000 -19.584 -10.493) 22.218 7.886 ( 0.000 -0.266 -7.896) 7.900 8.014 ( 0.000 -4.804 -2.360) 5.352 8.259 ( 0.000 16.311 3.946) 16.782 8.487 ( 0.000 4.523 -4.152) 6.140 8.586 ( 0.000 -9.895 9.539) 13.744 8.731 ( 0.000 -5.078 -1.088) 5.193 9.038 ( 0.000 2.193 -3.825) 4.409 9.103 ( 0.000 5.025 -6.322) 8.076 9.243 ( 0.000 -1.308 2.896) 3.178 9.524 ( 0.000 -1.608 -8.508) 8.658 9.690 ( 0.000 3.779 6.703) 7.695 9.763 ( 0.000 -2.492 -1.603) 2.963 9.789 ( 0.000 3.674 1.254) 3.882 9.814 ( 0.000 1.387 -4.314) 4.532 10.209 ( 0.000 -1.945 3.855) 4.317 10.213 ( 0.000 -1.849 -1.659) 2.484 10.330 ( 0.000 -1.137 -1.848) 2.170 10.427 ( 0.000 6.108 -10.356) 12.023 10.894 ( 0.000 -8.890 3.500) 9.554 10.909 ( 0.000 -10.973 16.437) 19.763 11.143 ( 0.000 -8.163 -8.246) 11.603 11.566 ( 0.000 -22.818 -9.732) 24.807 12.281 ( 0.000 15.122 27.953) 31.781 12.702 ( 0.000 17.224 14.509) 22.520 13.246 ( 0.000 3.670 4.321) 5.669 13.357 ( 0.000 1.807 -13.334) 13.456 13.444 ( 0.000 14.036 -13.578) 19.529 13.675 ( 0.000 5.548 -3.451) 6.534 14.653 ( 0.000 -5.384 9.831) 11.209 14.915 ( 0.000 -3.461 -3.692) 5.060 ======================= Grid point 197 (66/100) ======================= q-point: ( 0.17 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 3.716 9.337 18.490) 21.045 2.404 ( 12.549 19.193 21.742) 31.601 2.697 ( 0.653 2.377 -12.125) 12.373 3.121 ( 1.742 1.477 -4.230) 4.808 3.358 ( 3.984 3.952 -7.593) 9.441 3.511 ( 0.047 -3.362 6.857) 7.637 3.619 ( -4.977 -3.931 -8.098) 10.286 4.005 ( 0.786 7.080 28.966) 29.829 4.179 ( -13.600 -2.891 8.105) 16.094 4.261 ( 4.061 -8.149 -16.774) 19.086 4.551 ( -1.389 -1.877 -3.014) 3.813 4.755 ( 1.561 7.063 13.182) 15.036 4.884 ( 0.381 -3.958 -9.461) 10.263 5.085 ( 0.434 -0.330 2.353) 2.415 5.239 ( -8.402 0.416 10.694) 13.606 5.480 ( 1.970 -4.229 -0.936) 4.759 5.664 ( 7.910 2.823 7.882) 11.518 5.785 ( -4.214 -1.029 4.719) 6.410 5.807 ( -13.640 -3.358 -2.714) 14.307 5.914 ( -3.146 7.465 -13.005) 15.322 6.100 ( -5.728 5.671 -7.968) 11.334 6.506 ( 13.114 -3.350 -17.999) 22.520 6.620 ( -3.334 1.079 3.922) 5.259 6.670 ( 3.086 -3.661 18.968) 19.563 6.939 ( -7.179 -5.274 -4.855) 10.145 7.217 ( 0.411 -7.089 0.909) 7.158 7.385 ( 4.387 -1.987 -3.964) 6.237 7.436 ( -10.263 -20.579 -5.730) 23.699 7.485 ( -0.863 -10.224 -1.928) 10.440 7.657 ( 5.414 -9.155 -15.063) 18.439 8.065 ( 12.804 0.653 -4.301) 13.523 8.124 ( 7.803 1.480 -4.335) 9.048 8.322 ( 1.716 13.895 0.335) 14.005 8.455 ( -1.497 -7.820 -1.238) 8.057 8.572 ( -0.406 -6.312 4.565) 7.800 8.746 ( 0.311 -8.125 -2.050) 8.386 9.052 ( 2.174 3.056 -1.299) 3.969 9.148 ( 5.368 3.063 -5.065) 7.990 9.309 ( 6.387 -0.993 1.934) 6.747 9.524 ( -0.853 -1.591 -7.319) 7.538 9.624 ( -3.081 0.829 4.618) 5.613 9.747 ( -2.205 3.317 -3.599) 5.368 9.832 ( -0.139 1.496 -1.985) 2.489 9.845 ( 4.533 -0.415 -0.254) 4.559 10.221 ( 0.333 -1.604 -1.492) 2.216 10.235 ( 2.551 -0.539 3.063) 4.022 10.327 ( 1.184 -0.676 -1.238) 1.842 10.435 ( 0.012 4.273 -8.395) 9.419 10.820 ( -1.868 -7.968 8.936) 12.118 11.038 ( 7.981 -12.225 11.863) 18.811 11.156 ( 2.313 -9.818 -8.006) 12.877 11.551 ( -2.904 -25.221 -3.939) 25.692 12.228 ( -4.687 16.177 26.824) 31.673 12.630 ( -5.195 21.242 7.414) 23.090 13.104 ( -18.606 5.059 -9.736) 21.601 13.275 ( -3.277 9.067 -15.207) 18.005 13.500 ( 9.854 6.653 7.035) 13.815 13.889 ( 15.320 3.346 -5.978) 16.782 14.581 ( -7.504 -4.903 10.088) 13.495 14.847 ( -6.949 -2.699 -3.285) 8.147 ======================= Grid point 198 (67/100) ======================= q-point: ( 0.33 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 15.369 1.938 15.507) 21.919 2.619 ( 9.709 2.484 2.661) 10.369 2.863 ( 15.760 5.098 13.083) 21.107 2.993 ( -12.860 -2.199 2.209) 13.232 3.352 ( -16.432 -5.409 -8.679) 19.354 3.448 ( -6.929 -5.439 16.771) 18.944 3.602 ( 13.374 7.184 -11.553) 19.077 3.920 ( -2.880 6.362 11.825) 13.733 4.041 ( -6.786 11.044 8.066) 15.267 4.322 ( -4.656 0.150 -16.769) 17.404 4.476 ( -1.398 -0.949 -13.259) 13.366 4.768 ( -6.585 -7.422 -12.741) 16.149 4.949 ( 15.260 1.577 9.457) 18.022 5.117 ( 3.564 -1.806 -3.454) 5.281 5.177 ( 2.084 -0.904 14.430) 14.607 5.483 ( -3.471 1.123 4.687) 5.939 5.554 ( -11.687 -4.698 -2.457) 12.833 5.752 ( 4.253 -0.505 1.002) 4.399 5.784 ( -4.391 5.097 0.782) 6.773 5.897 ( 4.511 4.438 2.696) 6.878 6.020 ( -3.374 3.331 -3.899) 6.139 6.296 ( -16.117 7.498 12.553) 21.761 6.729 ( 5.971 -2.921 -19.103) 20.227 6.780 ( 1.295 -13.648 11.304) 17.769 6.832 ( -1.324 -6.830 -2.428) 7.369 7.133 ( -10.699 -11.478 0.669) 15.706 7.320 ( 1.283 -12.974 -7.041) 14.817 7.500 ( 1.310 -4.989 1.381) 5.340 7.626 ( 15.090 0.878 -1.422) 15.182 7.809 ( 13.534 -3.392 -21.189) 25.370 8.181 ( -0.594 -0.444 3.807) 3.878 8.222 ( -7.086 10.549 -3.861) 13.282 8.300 ( 3.680 5.177 -9.537) 11.459 8.411 ( -3.110 -7.161 7.570) 10.874 8.588 ( 1.413 -7.951 -8.509) 11.731 8.729 ( -1.686 -10.034 -3.213) 10.670 9.144 ( 7.142 -0.217 3.685) 8.040 9.304 ( 9.467 0.242 -2.543) 9.806 9.418 ( 0.687 1.601 3.370) 3.794 9.491 ( 2.264 -4.801 -3.973) 6.630 9.616 ( 0.372 -0.444 0.189) 0.609 9.711 ( -2.140 2.068 -5.319) 6.095 9.792 ( -2.556 3.044 -2.751) 4.834 9.891 ( -0.482 -0.310 -3.915) 3.957 10.223 ( 1.030 -0.592 0.909) 1.496 10.285 ( 1.464 -0.440 0.360) 1.570 10.386 ( 3.276 -0.504 -1.033) 3.472 10.420 ( -0.768 4.243 -6.601) 7.885 10.859 ( 6.974 -9.509 12.201) 16.968 11.181 ( 6.248 -15.478 9.430) 19.171 11.247 ( 5.687 -15.918 -0.359) 16.908 11.413 ( -10.926 -24.173 6.591) 27.334 12.158 ( -0.948 19.598 21.137) 28.840 12.525 ( -9.887 21.529 -2.031) 23.778 12.814 ( -6.212 11.452 -10.457) 16.706 13.121 ( -11.220 13.396 -21.362) 27.598 13.772 ( 16.675 0.349 13.705) 21.587 14.173 ( 14.333 1.662 -5.181) 15.331 14.382 ( -13.043 -3.531 10.682) 17.225 14.672 ( -11.089 -1.039 -3.209) 11.590 ======================= Grid point 199 (68/100) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -18.348 -4.229 11.785) 22.213 2.562 ( 18.348 -4.229 11.785) 22.213 2.969 ( -15.049 -2.645 -4.155) 15.835 2.969 ( 15.049 -2.645 -4.155) 15.835 3.227 ( -14.876 -0.666 16.483) 22.213 3.227 ( 14.876 -0.666 16.483) 22.213 3.861 ( -10.895 11.306 5.327) 16.580 3.861 ( 10.895 11.306 5.327) 16.580 4.052 ( -15.681 8.645 -10.078) 20.547 4.052 ( 15.681 8.645 -10.078) 20.547 4.600 ( -9.818 -8.872 -20.517) 24.414 4.600 ( 9.818 -8.872 -20.517) 24.414 5.176 ( -2.152 -7.538 5.324) 9.476 5.176 ( 2.152 -7.538 5.324) 9.476 5.319 ( -11.885 0.914 -3.616) 12.457 5.319 ( 11.885 0.914 -3.616) 12.457 5.539 ( -14.465 8.190 11.006) 19.936 5.539 ( 14.465 8.190 11.006) 19.936 5.885 ( -7.044 -0.916 5.164) 8.782 5.885 ( 7.044 -0.916 5.164) 8.782 6.077 ( -8.721 8.277 4.137) 12.715 6.077 ( 8.721 8.277 4.137) 12.715 6.769 ( -0.747 -7.877 -7.818) 11.123 6.769 ( 0.747 -7.877 -7.818) 11.123 6.925 ( -9.242 -12.715 3.417) 16.086 6.925 ( 9.242 -12.715 3.417) 16.086 7.423 ( -6.986 -6.315 -6.563) 11.479 7.423 ( 6.986 -6.315 -6.563) 11.479 7.945 ( -16.505 1.941 -0.335) 16.622 7.945 ( 16.505 1.941 -0.335) 16.622 8.099 ( -13.834 -0.655 -13.494) 19.336 8.099 ( 13.834 -0.655 -13.494) 19.336 8.336 ( -4.519 3.060 3.530) 6.500 8.336 ( 4.519 3.060 3.530) 6.500 8.666 ( -5.029 -9.017 -6.712) 12.315 8.666 ( 5.029 -9.017 -6.712) 12.315 9.287 ( -7.164 -1.118 5.133) 8.884 9.287 ( 7.164 -1.118 5.133) 8.884 9.522 ( -6.201 -2.218 -6.232) 9.067 9.522 ( 6.201 -2.218 -6.232) 9.067 9.621 ( -4.117 -0.488 2.585) 4.886 9.621 ( 4.117 -0.488 2.585) 4.886 9.831 ( -4.777 2.656 -6.911) 8.811 9.831 ( 4.777 2.656 -6.911) 8.811 10.266 ( -2.730 -1.643 1.694) 3.609 10.266 ( 2.730 -1.643 1.694) 3.609 10.417 ( -0.785 3.545 -5.206) 6.347 10.417 ( 0.785 3.545 -5.206) 6.347 11.082 ( -14.650 -15.821 14.519) 25.995 11.082 ( 14.650 -15.821 14.519) 25.995 11.317 ( -2.689 -20.287 6.007) 21.328 11.317 ( 2.689 -20.287 6.007) 21.328 12.263 ( -12.458 20.792 7.091) 25.254 12.263 ( 12.458 20.792 7.091) 25.254 12.901 ( -10.715 15.177 -18.565) 26.264 12.901 ( 10.715 15.177 -18.565) 26.264 14.090 ( -16.453 -2.261 12.733) 20.927 14.090 ( 16.453 -2.261 12.733) 20.927 14.442 ( -13.111 0.667 -4.302) 13.814 14.442 ( 13.111 0.667 -4.302) 13.814 ======================= Grid point 203 (69/100) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.000 17.692 13.724) 22.391 2.757 ( 0.000 21.990 21.944) 31.066 2.840 ( 0.000 5.740 -12.395) 13.660 3.038 ( 0.000 -5.102 1.818) 5.417 3.497 ( 0.000 4.359 -7.075) 8.310 3.574 ( 0.000 2.459 9.240) 9.561 3.579 ( 0.000 12.948 -14.998) 19.814 4.040 ( 0.000 -7.797 -10.788) 13.311 4.116 ( 0.000 8.555 15.800) 17.967 4.320 ( 0.000 0.853 9.779) 9.816 4.429 ( 0.000 -5.760 -2.742) 6.379 4.703 ( 0.000 -6.454 -1.053) 6.539 4.908 ( 0.000 4.373 11.036) 11.870 5.094 ( 0.000 2.510 0.263) 2.523 5.313 ( 0.000 -0.959 12.761) 12.797 5.518 ( 0.000 2.834 4.088) 4.974 5.545 ( 0.000 -2.099 3.595) 4.163 5.796 ( 0.000 -12.126 0.825) 12.154 5.976 ( 0.000 -0.728 6.189) 6.232 6.044 ( 0.000 8.894 -9.512) 13.022 6.250 ( 0.000 -2.910 -13.826) 14.129 6.314 ( 0.000 -7.023 14.189) 15.832 6.396 ( 0.000 7.003 -15.532) 17.038 6.567 ( 0.000 -23.708 10.080) 25.762 6.915 ( 0.000 3.621 6.615) 7.542 6.957 ( 0.000 -28.480 2.690) 28.607 7.032 ( 0.000 -22.555 -6.161) 23.381 7.230 ( 0.000 -3.438 -17.722) 18.052 7.348 ( 0.000 -5.934 -13.664) 14.896 7.449 ( 0.000 -3.171 -24.777) 24.979 7.854 ( 0.000 -13.248 2.135) 13.419 7.872 ( 0.000 -3.772 -1.230) 3.967 8.489 ( 0.000 2.898 9.243) 9.686 8.521 ( 0.000 9.780 1.293) 9.865 8.584 ( 0.000 4.675 -1.619) 4.947 8.624 ( 0.000 -2.864 -1.317) 3.152 8.996 ( 0.000 -3.322 2.607) 4.223 9.184 ( 0.000 -0.283 -3.138) 3.151 9.208 ( 0.000 -2.404 4.288) 4.916 9.472 ( 0.000 -3.344 -3.706) 4.991 9.734 ( 0.000 0.930 -2.323) 2.503 9.786 ( 0.000 3.654 9.708) 10.373 9.862 ( 0.000 3.241 -0.809) 3.341 9.868 ( 0.000 3.505 -7.161) 7.972 10.134 ( 0.000 -6.992 3.634) 7.880 10.178 ( 0.000 -1.686 -0.268) 1.707 10.287 ( 0.000 -1.411 -3.656) 3.919 10.525 ( 0.000 0.079 -9.158) 9.158 10.697 ( 0.000 -5.355 8.030) 9.652 10.773 ( 0.000 -2.346 -0.841) 2.493 10.961 ( 0.000 -7.867 -10.530) 13.144 11.126 ( 0.000 -18.438 -6.759) 19.638 12.636 ( 0.000 17.614 27.906) 33.000 13.013 ( 0.000 12.476 8.858) 15.301 13.349 ( 0.000 5.786 10.451) 11.946 13.362 ( 0.000 -1.436 -6.627) 6.781 13.730 ( 0.000 9.418 -12.158) 15.379 13.849 ( 0.000 14.399 -10.644) 17.906 14.506 ( 0.000 -8.787 8.990) 12.571 14.827 ( 0.000 -5.141 -7.707) 9.265 ======================= Grid point 204 (70/100) ======================= q-point: ( 0.17 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -0.759 17.378 12.610) 21.485 2.710 ( -7.036 6.189 -4.623) 10.449 2.851 ( 6.953 13.862 18.701) 24.295 3.071 ( -0.609 -2.769 0.001) 2.835 3.431 ( -6.198 -1.637 -2.983) 7.070 3.555 ( -2.804 3.267 3.205) 5.367 3.651 ( 5.443 15.408 -10.952) 19.672 4.091 ( 2.605 -7.249 -13.851) 15.849 4.130 ( -9.969 1.227 10.715) 14.687 4.195 ( 7.430 7.392 11.013) 15.203 4.500 ( 2.903 -1.897 -3.956) 5.261 4.683 ( 0.027 -9.136 -6.357) 11.130 4.981 ( -5.668 8.920 9.252) 14.046 5.078 ( 8.051 -1.299 9.400) 12.444 5.244 ( -7.781 0.144 7.348) 10.703 5.437 ( -2.094 -0.601 6.215) 6.586 5.645 ( -12.043 -8.948 -3.477) 15.400 5.701 ( 10.299 0.817 6.887) 12.416 5.811 ( -6.502 0.356 6.238) 9.017 6.060 ( -4.618 4.589 -11.928) 13.589 6.186 ( -6.546 0.740 -2.290) 6.974 6.437 ( 14.390 -2.776 -14.021) 20.282 6.466 ( -3.142 -14.689 8.593) 17.305 6.575 ( 3.935 -8.534 9.620) 13.449 6.824 ( -8.304 -3.052 0.730) 8.877 6.962 ( -1.174 -17.950 -1.478) 18.049 7.146 ( 8.176 -20.764 -5.608) 23.009 7.181 ( -0.903 0.660 -11.059) 11.115 7.304 ( 1.051 -5.543 -8.383) 10.105 7.591 ( 9.900 -1.350 -21.568) 23.770 7.914 ( 4.266 -16.599 3.642) 17.521 8.001 ( 11.357 -9.418 -2.318) 14.935 8.429 ( -6.007 3.793 6.020) 9.312 8.527 ( -2.927 2.167 -0.639) 3.697 8.552 ( 2.259 7.729 -1.186) 8.139 8.639 ( -0.184 0.651 -2.356) 2.451 9.019 ( 2.736 -3.935 2.326) 5.327 9.197 ( 2.153 -0.850 -3.426) 4.135 9.275 ( 6.061 -2.503 3.439) 7.405 9.471 ( -1.299 -3.532 -1.687) 4.124 9.640 ( -4.569 1.421 4.240) 6.393 9.828 ( -1.736 3.559 -5.906) 7.111 9.859 ( 2.550 2.284 -1.376) 3.690 9.871 ( -0.819 0.936 -1.529) 1.971 10.167 ( 2.153 -4.732 3.995) 6.556 10.211 ( 4.456 -2.707 0.424) 5.231 10.284 ( -0.079 -0.685 -1.934) 2.054 10.515 ( -0.827 0.903 -8.826) 8.911 10.707 ( 1.330 -2.432 4.015) 4.879 10.812 ( 3.205 -6.685 1.833) 7.637 10.951 ( -0.352 -8.570 -9.118) 12.518 11.094 ( -3.571 -18.133 -3.908) 18.890 12.589 ( -3.885 17.103 26.577) 31.843 13.012 ( 0.135 15.894 3.134) 16.200 13.186 ( -14.203 2.522 -2.802) 14.695 13.419 ( 5.073 4.836 6.596) 9.624 13.722 ( -1.369 12.392 -11.621) 17.044 13.978 ( 11.717 6.325 -7.032) 15.058 14.446 ( -6.212 -8.056 9.349) 13.816 14.775 ( -5.322 -4.360 -7.339) 10.059 ======================= Grid point 205 (71/100) ======================= q-point: ( 0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 7.564 13.680 10.623) 18.900 2.640 ( 0.092 2.226 -1.384) 2.623 2.965 ( -7.208 1.719 -0.292) 7.416 2.992 ( 2.861 3.520 15.164) 15.828 3.284 ( -8.368 1.319 -2.422) 8.811 3.407 ( -9.230 1.428 13.573) 16.476 3.829 ( 11.875 11.999 -6.981) 18.268 3.988 ( 0.432 -1.254 -3.061) 3.336 4.189 ( 2.655 2.703 -3.077) 4.880 4.317 ( 3.863 2.979 2.124) 5.321 4.467 ( -9.505 -2.352 -10.212) 14.148 4.618 ( -6.404 -4.647 -10.713) 13.319 4.966 ( 5.831 1.025 8.538) 10.390 5.064 ( -6.670 -2.942 4.122) 8.375 5.219 ( 4.291 1.514 4.653) 6.508 5.387 ( -5.289 -7.773 2.844) 9.822 5.535 ( 2.574 2.216 4.338) 5.510 5.742 ( 1.243 -1.579 -0.195) 2.019 5.879 ( 2.270 1.505 2.536) 3.722 5.974 ( -3.376 3.113 3.157) 5.573 6.088 ( -0.861 2.611 -3.039) 4.098 6.417 ( 0.150 -5.767 10.722) 12.175 6.508 ( -8.356 -1.191 9.670) 12.836 6.646 ( -2.907 -12.133 4.028) 13.111 6.707 ( 4.110 0.838 -13.226) 13.875 6.943 ( -2.129 -4.431 -9.093) 10.337 7.132 ( -0.580 -5.236 -7.656) 9.293 7.250 ( 2.701 -15.598 -1.241) 15.879 7.511 ( 15.736 -12.098 -0.644) 19.859 7.779 ( 10.251 -1.939 -19.651) 22.249 7.938 ( -2.712 -16.955 5.440) 18.011 8.135 ( -3.758 -17.640 -3.511) 18.374 8.379 ( 6.230 3.091 0.331) 6.962 8.490 ( -0.706 5.736 0.388) 5.792 8.569 ( -1.828 8.578 -5.680) 10.449 8.618 ( -1.648 1.011 -2.828) 3.426 9.100 ( 5.836 -3.813 3.101) 7.630 9.287 ( 7.083 -3.070 -3.543) 8.493 9.382 ( -4.725 -5.378 1.296) 7.275 9.403 ( 4.183 -3.814 2.541) 6.205 9.607 ( -0.139 -0.024 4.007) 4.010 9.758 ( -6.488 2.253 -6.126) 9.203 9.845 ( 0.088 1.590 -6.285) 6.483 9.890 ( -0.075 0.149 -4.110) 4.114 10.202 ( 2.028 -1.686 3.097) 4.068 10.276 ( -0.798 -1.235 1.204) 1.901 10.340 ( 7.696 -2.434 0.704) 8.102 10.500 ( -0.904 1.995 -8.538) 8.815 10.742 ( 2.331 -1.177 1.631) 3.079 10.874 ( 3.655 -12.192 2.152) 12.909 10.949 ( -2.395 -11.855 -0.028) 12.094 11.000 ( -4.281 -14.798 -2.057) 15.542 12.543 ( 0.351 16.715 21.586) 27.303 12.874 ( -14.727 11.954 3.326) 19.257 13.082 ( 4.750 14.371 -6.268) 16.382 13.403 ( -7.412 11.869 -12.755) 18.934 13.799 ( 10.302 2.969 9.032) 14.019 14.203 ( 8.565 0.946 -3.110) 9.161 14.290 ( -7.173 -4.812 6.825) 11.009 14.638 ( -8.915 -2.489 -6.913) 11.553 ======================= Grid point 206 (72/100) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -9.962 6.599 8.436) 14.628 2.581 ( 9.962 6.599 8.436) 14.628 2.915 ( -6.913 -0.715 -5.340) 8.765 2.915 ( 6.913 -0.715 -5.340) 8.765 3.267 ( -5.371 3.801 16.644) 17.898 3.267 ( 5.371 3.801 16.644) 17.898 4.028 ( -7.581 2.183 -3.862) 8.783 4.028 ( 7.581 2.183 -3.862) 8.783 4.220 ( -11.086 6.488 -5.908) 14.139 4.220 ( 11.086 6.488 -5.908) 14.139 4.452 ( -9.777 -2.469 -6.224) 11.850 4.452 ( 9.777 -2.469 -6.224) 11.850 5.038 ( -0.218 -5.166 4.346) 6.754 5.038 ( 0.218 -5.166 4.346) 6.754 5.281 ( -5.228 -5.166 -8.627) 11.333 5.281 ( 5.228 -5.166 -8.627) 11.333 5.698 ( -12.434 5.746 9.596) 16.725 5.698 ( 12.434 5.746 9.596) 16.725 5.870 ( -7.267 -1.136 3.402) 8.104 5.870 ( 7.267 -1.136 3.402) 8.104 6.252 ( -12.915 7.999 3.721) 15.640 6.252 ( 12.915 7.999 3.721) 15.640 6.533 ( -6.472 -12.451 12.739) 18.952 6.533 ( 6.472 -12.451 12.739) 18.952 6.826 ( -7.433 3.691 -13.074) 15.486 6.826 ( 7.433 3.691 -13.074) 15.486 7.218 ( -5.662 -13.642 -4.993) 15.592 7.218 ( 5.662 -13.642 -4.993) 15.592 7.790 ( -12.508 -11.724 3.183) 17.437 7.790 ( 12.508 -11.724 3.183) 17.437 7.975 ( -9.974 -13.888 -11.237) 20.461 7.975 ( 9.974 -13.888 -11.237) 20.461 8.497 ( -1.712 7.697 -2.838) 8.380 8.497 ( 1.712 7.697 -2.838) 8.380 8.553 ( -4.591 1.979 -2.193) 5.459 8.553 ( 4.591 1.979 -2.193) 5.459 9.233 ( -7.822 -4.427 4.391) 10.003 9.233 ( 7.822 -4.427 4.391) 10.003 9.434 ( -4.542 -6.523 -3.831) 8.824 9.434 ( 4.542 -6.523 -3.831) 8.824 9.632 ( -4.560 1.173 1.519) 4.948 9.632 ( 4.560 1.173 1.519) 4.948 9.868 ( -1.780 1.060 -7.695) 7.969 9.868 ( 1.780 1.060 -7.695) 7.969 10.245 ( -2.280 -0.680 2.785) 3.663 10.245 ( 2.280 -0.680 2.785) 3.663 10.460 ( -4.101 -0.274 -5.148) 6.587 10.460 ( 4.101 -0.274 -5.148) 6.587 10.822 ( -6.610 -7.048 4.394) 10.615 10.822 ( 6.610 -7.048 4.394) 10.615 10.955 ( -3.313 -14.258 -0.023) 14.638 10.955 ( 3.313 -14.258 -0.023) 14.638 12.634 ( -9.453 15.162 12.534) 21.826 12.634 ( 9.453 15.162 12.534) 21.826 13.226 ( -9.673 15.036 -13.538) 22.426 13.226 ( 9.673 15.036 -13.538) 22.426 14.034 ( -13.239 -2.842 12.361) 18.335 14.034 ( 13.239 -2.842 12.361) 18.335 14.447 ( -11.071 -0.288 -7.048) 13.127 14.447 ( 11.071 -0.288 -7.048) 13.127 ======================= Grid point 210 (73/100) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 0.000 15.027 7.738) 16.903 2.929 ( 0.000 2.995 -6.839) 7.466 2.949 ( 0.000 -1.509 4.264) 4.523 3.056 ( 0.000 4.890 10.413) 11.504 3.457 ( 0.000 -0.956 2.977) 3.127 3.648 ( 0.000 2.107 6.834) 7.151 3.921 ( 0.000 -2.169 -3.412) 4.043 4.036 ( 0.000 16.695 -13.446) 21.436 4.291 ( 0.000 8.050 6.044) 10.066 4.375 ( 0.000 3.377 3.155) 4.621 4.442 ( 0.000 12.877 -1.443) 12.958 4.629 ( 0.000 1.919 -2.512) 3.161 4.870 ( 0.000 -6.451 2.151) 6.800 5.162 ( 0.000 -1.626 -9.878) 10.011 5.241 ( 0.000 -9.724 4.399) 10.673 5.529 ( 0.000 -1.722 16.835) 16.922 5.586 ( 0.000 -11.248 -5.879) 12.691 5.610 ( 0.000 13.623 23.383) 27.061 5.836 ( 0.000 -6.471 9.539) 11.527 6.024 ( 0.000 -19.987 13.837) 24.309 6.145 ( 0.000 -5.322 -6.762) 8.605 6.161 ( 0.000 -9.520 6.210) 11.367 6.284 ( 0.000 4.155 0.034) 4.155 6.458 ( 0.000 -10.230 -3.314) 10.754 6.531 ( 0.000 -15.175 -5.460) 16.127 6.568 ( 0.000 -1.263 -2.548) 2.844 7.029 ( 0.000 5.147 -1.401) 5.335 7.235 ( 0.000 1.022 -15.672) 15.705 7.236 ( 0.000 -4.711 -23.975) 24.434 7.395 ( 0.000 -1.715 -24.339) 24.399 7.536 ( 0.000 -15.319 0.739) 15.337 7.649 ( 0.000 -15.478 -2.769) 15.723 8.668 ( 0.000 4.932 1.700) 5.217 8.669 ( 0.000 3.563 -1.552) 3.886 8.677 ( 0.000 12.731 4.917) 13.648 8.690 ( 0.000 7.540 -0.813) 7.584 8.957 ( 0.000 0.400 7.158) 7.169 9.108 ( 0.000 -4.865 0.049) 4.865 9.126 ( 0.000 -5.867 5.693) 8.174 9.378 ( 0.000 -6.706 0.903) 6.767 9.780 ( 0.000 -3.202 13.018) 13.406 9.786 ( 0.000 2.202 -4.564) 5.067 9.874 ( 0.000 -3.811 -1.222) 4.002 9.909 ( 0.000 0.613 -1.434) 1.560 10.056 ( 0.000 2.586 3.949) 4.720 10.155 ( 0.000 -0.408 -1.564) 1.616 10.264 ( 0.000 -0.876 -7.887) 7.936 10.398 ( 0.000 -7.828 -1.784) 8.029 10.736 ( 0.000 4.269 -8.049) 9.111 10.768 ( 0.000 0.956 -4.056) 4.167 10.856 ( 0.000 -2.881 -11.416) 11.774 10.865 ( 0.000 -7.031 -6.028) 9.261 12.933 ( 0.000 10.824 24.837) 27.093 13.161 ( 0.000 0.330 9.710) 9.716 13.360 ( 0.000 3.685 -1.121) 3.852 13.457 ( 0.000 3.712 7.624) 8.480 13.868 ( 0.000 7.076 -3.214) 7.771 14.192 ( 0.000 16.619 -16.077) 23.123 14.302 ( 0.000 -11.139 7.715) 13.549 14.697 ( 0.000 -7.950 -11.832) 14.255 ======================= Grid point 211 (74/100) ======================= q-point: ( 0.17 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -1.423 14.546 6.464) 15.981 2.783 ( -7.275 2.590 -2.806) 8.217 3.046 ( -0.176 3.866 10.626) 11.309 3.052 ( 2.587 -0.170 0.444) 2.631 3.455 ( -1.767 3.425 4.337) 5.801 3.617 ( -3.255 2.922 8.596) 9.645 3.877 ( -1.732 -3.239 -7.472) 8.326 4.126 ( -5.702 14.175 1.428) 15.346 4.150 ( 2.387 3.653 -3.720) 5.734 4.390 ( 1.026 11.700 -0.398) 11.751 4.531 ( 2.332 5.629 -5.591) 8.270 4.559 ( -2.159 -0.944 -6.513) 6.926 4.961 ( 4.158 -8.915 2.708) 10.203 5.087 ( -4.771 -2.344 5.653) 7.760 5.215 ( -2.637 -5.172 -2.089) 6.169 5.423 ( -11.163 -1.676 13.849) 17.866 5.519 ( -0.983 -3.509 -1.654) 4.002 5.693 ( -1.050 -4.783 8.492) 9.803 5.765 ( 2.462 1.343 18.031) 18.248 6.033 ( -3.753 -7.945 0.826) 8.825 6.074 ( 0.553 -14.099 8.915) 16.690 6.215 ( 0.593 2.997 0.605) 3.114 6.376 ( 7.116 -1.751 -3.832) 8.270 6.449 ( 5.775 -11.304 -6.174) 14.115 6.586 ( 7.206 -11.986 0.426) 13.992 6.799 ( 10.725 0.401 -5.399) 12.014 6.967 ( -2.955 2.164 -1.773) 4.069 7.161 ( -2.209 -1.325 -15.002) 15.221 7.243 ( -1.680 -3.079 -13.040) 13.503 7.539 ( 10.773 -5.108 -21.159) 24.287 7.554 ( 3.011 -15.336 2.295) 15.796 7.732 ( 5.698 -12.698 -3.032) 14.244 8.589 ( -7.067 8.961 4.773) 12.370 8.621 ( -2.591 7.871 2.380) 8.621 8.681 ( -0.866 4.502 -1.942) 4.979 8.713 ( 1.210 4.273 -1.898) 4.830 8.958 ( 1.566 -0.990 4.067) 4.469 9.118 ( 2.659 -5.151 0.174) 5.799 9.201 ( 5.018 -4.531 3.218) 7.488 9.362 ( -2.800 -7.756 4.718) 9.500 9.682 ( -4.819 1.920 5.153) 7.311 9.824 ( -2.475 -4.837 -4.650) 7.152 9.853 ( 1.373 -0.012 -1.224) 1.840 9.921 ( -0.288 1.792 -2.220) 2.867 10.093 ( 3.616 -0.574 4.995) 6.193 10.179 ( 2.366 -0.333 -0.947) 2.570 10.272 ( 1.183 -1.044 -4.996) 5.240 10.424 ( 2.036 -6.591 -3.066) 7.549 10.729 ( -0.333 2.608 -6.197) 6.731 10.782 ( 0.718 1.464 -5.982) 6.200 10.838 ( -1.458 -3.850 -10.306) 11.098 10.852 ( -1.402 -4.992 -4.731) 7.019 12.859 ( -5.355 8.548 23.898) 25.940 13.177 ( -2.427 0.272 8.288) 8.640 13.314 ( -1.369 10.502 -0.593) 10.607 13.497 ( 3.632 2.608 7.435) 8.675 13.890 ( 0.889 5.478 -5.488) 7.805 14.197 ( 1.474 13.130 -12.132) 17.937 14.262 ( -3.954 -9.174 7.277) 12.360 14.660 ( -3.811 -7.257 -11.198) 13.878 ======================= Grid point 212 (75/100) ======================= q-point: ( 0.33 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 3.554 13.306 4.363) 14.447 2.721 ( 1.456 4.928 0.557) 5.168 2.999 ( -3.440 -0.928 3.725) 5.155 3.057 ( -3.765 4.690 -0.080) 6.014 3.394 ( -3.387 7.222 8.459) 11.627 3.503 ( -8.123 7.394 12.283) 16.478 3.885 ( 3.069 -6.383 -7.683) 10.449 4.014 ( -0.503 6.751 5.581) 8.774 4.274 ( 5.475 4.497 -3.328) 7.828 4.360 ( -10.492 -5.195 -14.789) 18.862 4.394 ( -2.129 3.549 1.238) 4.320 4.644 ( 0.441 5.158 -8.010) 9.537 4.942 ( -0.532 -3.709 6.320) 7.348 5.039 ( -2.954 -2.431 3.892) 5.457 5.170 ( -3.719 -2.829 1.373) 4.871 5.217 ( -6.101 -7.092 -1.359) 9.453 5.576 ( 6.051 -1.758 4.750) 7.891 5.696 ( 2.718 -1.749 2.982) 4.398 5.809 ( 0.668 -5.137 9.486) 10.808 5.954 ( -4.540 -7.271 0.220) 8.575 6.176 ( 7.973 -3.933 11.871) 14.831 6.213 ( 0.688 4.509 0.197) 4.566 6.452 ( 1.103 -4.522 3.232) 5.667 6.559 ( 0.553 -3.629 1.683) 4.039 6.741 ( 9.766 -5.002 -3.938) 11.657 6.852 ( 2.599 5.475 -10.761) 12.351 7.023 ( 1.302 -4.782 -6.631) 8.279 7.126 ( -4.910 -1.097 -11.395) 12.456 7.275 ( 9.636 -6.127 2.677) 11.729 7.613 ( 4.114 -15.635 4.087) 16.676 7.719 ( 4.865 -3.692 -16.511) 17.604 7.765 ( -4.094 -12.559 -0.520) 13.219 8.463 ( -2.284 5.454 8.296) 10.188 8.615 ( -0.380 4.282 -2.185) 4.822 8.660 ( -0.098 3.432 -1.228) 3.646 8.731 ( 0.438 4.746 -3.774) 6.080 9.019 ( 4.483 -3.316 2.404) 6.072 9.190 ( 4.407 -4.498 -3.367) 7.141 9.257 ( -6.421 -7.216 7.080) 11.976 9.290 ( 3.109 -5.932 0.870) 6.753 9.626 ( -1.285 1.683 2.988) 3.663 9.748 ( -5.483 -2.891 -3.538) 7.137 9.875 ( 0.852 0.943 -7.826) 7.929 9.903 ( -0.981 1.392 -6.123) 6.355 10.167 ( 3.852 -1.308 3.094) 5.111 10.240 ( 2.382 -1.274 -0.483) 2.744 10.308 ( 3.470 -1.544 -0.238) 3.806 10.448 ( -0.134 -5.670 -4.641) 7.328 10.732 ( 0.830 -1.128 -3.751) 4.004 10.778 ( -0.467 1.999 -7.172) 7.460 10.803 ( -2.515 -5.119 -4.080) 7.013 10.828 ( -1.117 -1.204 -5.283) 5.533 12.800 ( -0.011 8.037 21.223) 22.694 13.037 ( -9.696 4.916 11.113) 15.546 13.361 ( 4.850 12.015 -5.923) 14.247 13.547 ( -0.217 2.657 -0.344) 2.687 13.893 ( 1.445 4.973 0.227) 5.184 14.139 ( -7.545 -6.334 9.489) 13.678 14.291 ( 6.691 5.019 -9.333) 12.533 14.562 ( -6.260 -5.044 -9.985) 12.819 ======================= Grid point 213 (76/100) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -1.561 7.999 4.716) 9.416 2.763 ( 1.561 7.999 4.716) 9.416 2.962 ( -2.351 4.594 -3.091) 6.015 2.962 ( 2.351 4.594 -3.091) 6.015 3.382 ( -3.091 7.718 13.077) 15.496 3.382 ( 3.091 7.718 13.077) 15.496 3.997 ( -6.302 -1.711 -6.060) 8.909 3.997 ( 6.302 -1.711 -6.060) 8.909 4.238 ( -3.906 -4.195 2.897) 6.422 4.238 ( 3.906 -4.195 2.897) 6.422 4.512 ( -11.148 4.142 -7.312) 13.961 4.512 ( 11.148 4.142 -7.312) 13.961 4.995 ( -4.778 1.392 3.854) 6.295 4.995 ( 4.778 1.392 3.854) 6.295 5.140 ( -3.287 -7.081 -4.525) 9.023 5.140 ( 3.287 -7.081 -4.525) 9.023 5.695 ( -4.524 -4.291 5.490) 8.308 5.695 ( 4.524 -4.291 5.490) 8.308 5.856 ( -5.229 -2.313 -0.205) 5.721 5.856 ( 5.229 -2.313 -0.205) 5.721 6.250 ( -1.313 -4.075 7.692) 8.803 6.250 ( 1.313 -4.075 7.692) 8.803 6.489 ( -4.545 3.717 5.393) 7.972 6.489 ( 4.545 3.717 5.393) 7.972 6.923 ( -5.789 -2.379 -6.958) 9.359 6.923 ( 5.789 -2.379 -6.958) 9.359 6.991 ( -5.672 -0.737 -7.266) 9.247 6.991 ( 5.672 -0.737 -7.266) 9.247 7.541 ( -14.771 -9.043 4.857) 17.988 7.541 ( 14.771 -9.043 4.857) 17.988 7.717 ( -3.328 -9.556 -8.053) 12.933 7.717 ( 3.328 -9.556 -8.053) 12.933 8.530 ( -6.687 -0.614 4.164) 7.901 8.530 ( 6.687 -0.614 4.164) 7.901 8.709 ( -2.873 6.988 -3.401) 8.286 8.709 ( 2.873 6.988 -3.401) 8.286 9.119 ( -6.122 -5.831 3.499) 9.150 9.119 ( 6.122 -5.831 3.499) 9.150 9.292 ( -3.595 -5.871 -3.004) 7.511 9.292 ( 3.595 -5.871 -3.004) 7.511 9.646 ( -3.911 0.005 0.002) 3.911 9.646 ( 3.911 0.005 0.002) 3.911 9.889 ( -0.708 1.125 -8.701) 8.802 9.889 ( 0.708 1.125 -8.701) 8.802 10.230 ( -2.541 -0.724 0.901) 2.791 10.230 ( 2.541 -0.724 0.901) 2.791 10.401 ( -4.698 -4.275 -2.394) 6.788 10.401 ( 4.698 -4.275 -2.394) 6.788 10.758 ( -1.915 -3.856 -3.396) 5.483 10.758 ( 1.915 -3.856 -3.396) 5.483 10.794 ( -2.046 0.770 -4.514) 5.015 10.794 ( 2.046 0.770 -4.514) 5.015 12.870 ( -7.076 7.803 16.219) 19.340 12.870 ( 7.076 7.803 16.219) 19.340 13.472 ( -6.240 8.504 -8.723) 13.687 13.472 ( 6.240 8.504 -8.723) 13.687 13.988 ( -7.652 -1.502 9.446) 12.249 13.988 ( 7.652 -1.502 9.446) 12.249 14.431 ( -7.518 -1.099 -9.186) 11.921 14.431 ( 7.518 -1.099 -9.186) 11.921 ======================= Grid point 217 (77/100) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 0.000 -2.869 3.222) 4.314 2.918 ( 0.000 2.869 3.222) 4.314 3.004 ( 0.000 -5.970 -2.135) 6.340 3.004 ( 0.000 5.970 -2.135) 6.340 3.538 ( 0.000 -8.252 11.397) 14.071 3.538 ( 0.000 8.252 11.397) 14.071 4.028 ( 0.000 -6.714 -5.751) 8.841 4.028 ( 0.000 6.714 -5.751) 8.841 4.507 ( 0.000 -7.491 2.122) 7.786 4.507 ( 0.000 7.491 2.122) 7.786 4.616 ( 0.000 -10.606 4.335) 11.457 4.616 ( 0.000 10.606 4.335) 11.457 5.007 ( 0.000 -13.646 -7.199) 15.428 5.007 ( 0.000 13.646 -7.199) 15.428 5.137 ( 0.000 -13.495 -9.945) 16.763 5.137 ( 0.000 13.495 -9.945) 16.764 5.650 ( 0.000 -11.479 19.886) 22.961 5.650 ( 0.000 11.479 19.886) 22.961 5.889 ( 0.000 -1.267 16.314) 16.363 5.889 ( 0.000 1.267 16.314) 16.363 6.131 ( 0.000 -10.744 5.964) 12.288 6.131 ( 0.000 10.744 5.964) 12.288 6.144 ( 0.000 -0.970 -0.104) 0.976 6.144 ( 0.000 0.970 -0.104) 0.976 6.566 ( 0.000 -2.005 -7.596) 7.856 6.566 ( 0.000 2.005 -7.596) 7.856 7.140 ( 0.000 -4.655 -14.671) 15.392 7.140 ( 0.000 4.655 -14.671) 15.392 7.296 ( 0.000 -6.662 -8.853) 11.079 7.296 ( 0.000 6.662 -8.853) 11.079 7.417 ( 0.000 -4.154 -13.231) 13.867 7.417 ( 0.000 4.154 -13.231) 13.867 8.717 ( 0.000 -0.401 -0.095) 0.412 8.717 ( 0.000 0.401 -0.095) 0.412 8.824 ( 0.000 -2.885 -4.928) 5.710 8.824 ( 0.000 2.885 -4.928) 5.710 8.988 ( 0.000 -5.565 8.856) 10.459 8.988 ( 0.000 5.565 8.856) 10.459 9.177 ( 0.000 -11.146 7.031) 13.179 9.177 ( 0.000 11.146 7.031) 13.179 9.750 ( 0.000 -1.492 4.412) 4.657 9.750 ( 0.000 1.492 4.412) 4.657 9.885 ( 0.000 -2.131 0.119) 2.134 9.885 ( 0.000 2.131 0.119) 2.134 10.132 ( 0.000 -2.360 0.899) 2.525 10.132 ( 0.000 2.360 0.899) 2.525 10.279 ( 0.000 -2.824 -7.354) 7.878 10.279 ( 0.000 2.824 -7.354) 7.878 10.791 ( 0.000 -0.954 -5.693) 5.772 10.791 ( 0.000 0.954 -5.693) 5.772 10.809 ( 0.000 -2.089 -10.728) 10.930 10.809 ( 0.000 2.089 -10.728) 10.930 13.091 ( 0.000 -4.457 17.411) 17.973 13.091 ( 0.000 4.457 17.411) 17.973 13.458 ( 0.000 -3.406 1.614) 3.769 13.458 ( 0.000 3.406 1.614) 3.769 14.064 ( 0.000 -11.547 4.414) 12.362 14.064 ( 0.000 11.547 4.414) 12.362 14.491 ( 0.000 -12.446 -14.723) 19.279 14.491 ( 0.000 12.446 -14.723) 19.279 ======================= Grid point 219 (78/100) ======================= q-point: ( 0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -4.632 0.000 0.919) 4.722 2.883 ( -4.265 0.000 -2.748) 5.073 3.005 ( -0.299 0.000 6.166) 6.174 3.085 ( 3.713 0.000 0.648) 3.769 3.508 ( -0.945 0.000 9.805) 9.850 3.604 ( 3.236 -0.000 11.280) 11.735 3.847 ( -7.172 0.000 -2.578) 7.621 4.173 ( 1.795 0.000 -2.720) 3.259 4.386 ( -2.589 0.000 -4.101) 4.850 4.478 ( -9.047 0.000 6.086) 10.904 4.579 ( -6.869 0.000 -13.021) 14.722 4.708 ( 9.555 0.000 4.400) 10.519 4.860 ( -8.224 0.000 -2.790) 8.684 4.991 ( -2.752 0.000 -0.457) 2.790 5.161 ( 0.096 -0.000 -11.111) 11.111 5.206 ( 2.813 0.000 -7.119) 7.655 5.546 ( -3.072 0.000 26.741) 26.917 5.659 ( -1.246 0.000 9.664) 9.744 5.723 ( -7.630 -0.000 18.248) 19.779 5.888 ( -2.262 0.000 0.924) 2.443 6.131 ( 3.254 0.000 6.634) 7.389 6.151 ( 4.475 -0.000 6.107) 7.571 6.347 ( 14.318 0.000 4.624) 15.046 6.360 ( 2.594 -0.000 -8.430) 8.820 6.420 ( 9.917 0.000 -2.301) 10.181 6.878 ( 12.564 0.000 1.956) 12.715 7.013 ( -3.711 -0.000 -25.538) 25.806 7.112 ( -3.566 0.000 -1.267) 3.784 7.208 ( -4.581 0.000 -8.084) 9.292 7.326 ( 0.081 0.000 1.307) 1.309 7.492 ( 11.540 0.000 -22.340) 25.144 7.609 ( 8.543 -0.000 -7.864) 11.612 8.680 ( -1.224 0.000 0.915) 1.528 8.700 ( -2.999 0.000 -2.496) 3.902 8.754 ( -2.885 0.000 -2.176) 3.614 8.807 ( -7.579 0.000 -1.951) 7.826 8.961 ( -0.942 0.000 9.735) 9.780 9.057 ( 5.927 -0.000 5.650) 8.188 9.146 ( 2.496 0.000 0.755) 2.608 9.218 ( -1.127 0.000 9.469) 9.536 9.720 ( -1.073 -0.000 0.127) 1.081 9.733 ( -3.507 0.000 4.654) 5.828 9.862 ( 0.762 0.000 -5.265) 5.320 9.930 ( 0.908 0.000 -0.675) 1.132 10.103 ( 0.787 0.000 1.978) 2.129 10.183 ( 1.927 0.000 1.096) 2.217 10.257 ( 1.191 0.000 -5.592) 5.718 10.344 ( 2.956 0.000 -5.894) 6.593 10.771 ( -1.039 -0.000 -4.360) 4.482 10.775 ( -2.083 0.000 -10.438) 10.644 10.814 ( -0.324 -0.000 -8.974) 8.980 10.818 ( 1.166 0.000 -8.004) 8.089 12.940 ( -6.622 0.000 20.753) 21.784 13.174 ( -0.640 0.000 13.901) 13.916 13.457 ( 2.851 0.000 5.826) 6.486 13.501 ( 2.166 0.000 -3.860) 4.426 14.010 ( -3.089 -0.000 2.778) 4.154 14.082 ( -0.573 0.000 5.694) 5.723 14.458 ( -2.449 0.000 -14.576) 14.780 14.479 ( -1.612 -0.000 -12.488) 12.592 ======================= Grid point 221 (79/100) ======================= q-point: ( 0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 1.386 0.000 -0.006) 1.386 2.897 ( 5.254 -0.000 -1.624) 5.499 2.941 ( -4.904 0.000 7.453) 8.922 3.116 ( -1.629 0.000 -1.155) 1.997 3.482 ( -1.563 0.000 10.004) 10.126 3.604 ( -3.826 -0.000 13.345) 13.883 3.815 ( 4.659 -0.000 -2.073) 5.100 4.120 ( -3.655 0.000 3.976) 5.401 4.293 ( -9.612 0.000 7.338) 12.093 4.301 ( -12.446 -0.000 -9.695) 15.777 4.463 ( 0.408 -0.000 -18.713) 18.718 4.681 ( -8.074 0.000 -8.457) 11.692 4.904 ( 8.390 0.000 5.212) 9.877 4.984 ( 2.319 0.000 5.922) 6.360 5.125 ( -3.366 0.000 -6.533) 7.349 5.169 ( -5.454 0.000 1.130) 5.569 5.583 ( 4.599 -0.000 13.919) 14.659 5.643 ( -0.365 0.000 6.566) 6.576 5.680 ( 2.984 -0.000 7.612) 8.176 5.861 ( -1.634 0.000 -4.515) 4.801 6.201 ( 3.475 0.000 7.960) 8.686 6.236 ( 2.862 0.000 -0.726) 2.952 6.369 ( 3.691 0.000 2.526) 4.472 6.539 ( 3.377 0.000 0.810) 3.473 6.715 ( 14.305 0.000 -2.992) 14.614 6.878 ( -1.296 -0.000 2.917) 3.192 7.014 ( 1.527 0.000 -23.536) 23.586 7.103 ( -6.936 0.000 -8.766) 11.178 7.306 ( 15.276 -0.000 2.842) 15.538 7.333 ( 3.695 0.000 11.190) 11.785 7.659 ( 2.922 0.000 -13.053) 13.376 7.681 ( -1.497 0.000 -5.138) 5.352 8.570 ( -9.697 -0.000 9.808) 13.792 8.610 ( -5.651 0.000 1.408) 5.824 8.738 ( 3.493 0.000 -2.085) 4.068 8.755 ( 2.022 -0.000 -2.727) 3.395 8.980 ( 2.246 0.000 2.326) 3.234 9.134 ( -2.880 -0.000 5.626) 6.320 9.185 ( 2.830 -0.000 2.122) 3.538 9.207 ( 2.853 0.000 -3.575) 4.574 9.661 ( -3.128 -0.000 1.823) 3.620 9.693 ( -2.489 0.000 -1.926) 3.147 9.884 ( 1.204 0.000 -8.896) 8.977 9.921 ( -1.062 0.000 -6.747) 6.830 10.154 ( 3.930 0.000 2.004) 4.412 10.231 ( 2.233 0.000 -0.679) 2.334 10.287 ( 2.098 0.000 -0.477) 2.152 10.375 ( 0.130 0.000 -4.504) 4.506 10.736 ( -1.671 0.000 -9.242) 9.392 10.748 ( -1.410 -0.000 -1.199) 1.851 10.805 ( -0.204 0.000 -9.089) 9.092 10.829 ( -0.250 0.000 -7.031) 7.035 12.877 ( 0.413 0.000 20.811) 20.815 13.087 ( -7.092 0.000 14.780) 16.393 13.531 ( 3.438 -0.000 2.127) 4.043 13.537 ( 1.660 0.000 -7.253) 7.440 13.962 ( -1.464 -0.000 3.197) 3.517 14.040 ( -3.498 0.000 6.786) 7.635 14.419 ( -1.225 0.000 -12.101) 12.163 14.444 ( -1.863 -0.000 -10.095) 10.266 ======================= Grid point 223 (80/100) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -5.599 0.000 3.189) 6.444 2.840 ( 5.599 0.000 3.189) 6.444 3.026 ( -6.940 0.000 -1.821) 7.175 3.026 ( 6.940 0.000 -1.821) 7.175 3.503 ( -4.566 0.000 12.655) 13.453 3.503 ( 4.566 0.000 12.655) 13.453 3.997 ( -12.936 -0.000 -3.866) 13.501 3.997 ( 12.936 0.000 -3.866) 13.501 4.153 ( -3.718 0.000 3.455) 5.076 4.153 ( 3.718 0.000 3.455) 5.076 4.540 ( -6.391 0.000 -11.258) 12.945 4.540 ( 6.391 -0.000 -11.258) 12.945 5.035 ( -1.908 0.000 0.569) 1.991 5.035 ( 1.908 0.000 0.569) 1.991 5.065 ( -0.955 0.000 2.087) 2.295 5.065 ( 0.955 0.000 2.087) 2.295 5.634 ( -1.020 0.000 7.215) 7.287 5.634 ( 1.020 0.000 7.215) 7.287 5.789 ( -6.174 0.000 -0.693) 6.212 5.789 ( 6.174 0.000 -0.693) 6.212 6.246 ( -1.193 -0.000 0.820) 1.447 6.246 ( 1.193 0.000 0.820) 1.447 6.481 ( -6.533 0.000 5.696) 8.667 6.481 ( 6.533 0.000 5.696) 8.667 6.937 ( -8.316 0.000 -10.134) 13.109 6.937 ( 8.316 -0.000 -10.134) 13.109 6.958 ( -4.657 -0.000 -1.817) 4.999 6.958 ( 4.657 0.000 -1.817) 4.999 7.526 ( -7.941 0.000 2.104) 8.215 7.526 ( 7.941 0.000 2.104) 8.215 7.569 ( -4.961 0.000 -3.308) 5.963 7.569 ( 4.961 -0.000 -3.308) 5.963 8.513 ( -3.241 0.000 8.249) 8.862 8.513 ( 3.241 0.000 8.249) 8.862 8.784 ( -0.068 0.000 -2.554) 2.555 8.784 ( 0.068 0.000 -2.554) 2.555 9.047 ( -4.657 0.000 2.521) 5.295 9.047 ( 4.657 0.000 2.521) 5.295 9.232 ( -0.571 0.000 -4.742) 4.776 9.232 ( 0.571 0.000 -4.742) 4.776 9.643 ( -1.509 0.000 -0.379) 1.556 9.643 ( 1.509 0.000 -0.379) 1.556 9.904 ( -0.858 0.000 -9.520) 9.559 9.904 ( 0.858 0.000 -9.520) 9.559 10.222 ( -2.678 0.000 -0.387) 2.705 10.222 ( 2.678 0.000 -0.387) 2.705 10.346 ( -3.046 0.000 -1.753) 3.514 10.346 ( 3.046 0.000 -1.754) 3.514 10.725 ( -0.590 0.000 -3.640) 3.687 10.725 ( 0.590 0.000 -3.640) 3.687 10.814 ( -0.956 0.000 -7.289) 7.352 10.814 ( 0.956 0.000 -7.289) 7.352 12.949 ( -6.503 0.000 17.754) 18.907 12.949 ( 6.503 0.000 17.754) 18.907 13.559 ( -0.335 0.000 -5.413) 5.423 13.559 ( 0.335 0.000 -5.413) 5.423 13.974 ( -2.702 0.000 6.484) 7.025 13.974 ( 2.702 0.000 6.484) 7.025 14.417 ( -0.837 0.000 -9.927) 9.962 14.417 ( 0.837 0.000 -9.927) 9.962 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 0.000 0.000 -18.988) 18.988 2.279 ( 0.000 0.000 18.988) 18.988 2.555 ( 0.000 0.000 -25.815) 25.815 2.555 ( 0.000 0.000 25.815) 25.815 3.406 ( 0.000 0.000 -9.563) 9.563 3.406 ( 0.000 0.000 9.563) 9.563 3.858 ( 0.000 0.000 -20.124) 20.124 3.858 ( 0.000 0.000 20.124) 20.124 4.608 ( 0.000 0.000 -13.782) 13.782 4.608 ( 0.000 0.000 13.782) 13.782 4.780 ( 0.000 0.000 -1.377) 1.377 4.780 ( 0.000 0.000 1.377) 1.377 4.824 ( 0.000 0.000 -20.904) 20.904 4.824 ( 0.000 0.000 20.904) 20.904 5.602 ( 0.000 0.000 -12.041) 12.041 5.602 ( 0.000 0.000 12.041) 12.041 5.644 ( 0.000 0.000 -14.791) 14.791 5.644 ( 0.000 0.000 14.791) 14.791 5.718 ( 0.000 0.000 -11.779) 11.779 5.718 ( 0.000 0.000 11.779) 11.779 6.163 ( 0.000 0.000 -4.995) 4.995 6.163 ( 0.000 0.000 4.995) 4.995 6.647 ( 0.000 0.000 -17.405) 17.405 6.647 ( 0.000 0.000 17.405) 17.405 7.137 ( 0.000 0.000 -15.128) 15.128 7.137 ( 0.000 0.000 15.128) 15.128 7.667 ( 0.000 0.000 -6.902) 6.902 7.667 ( 0.000 0.000 6.902) 6.902 7.698 ( 0.000 0.000 -2.141) 2.141 7.698 ( 0.000 0.000 2.141) 2.141 7.876 ( 0.000 0.000 -13.197) 13.197 7.876 ( 0.000 0.000 13.197) 13.197 8.216 ( 0.000 0.000 -13.518) 13.518 8.216 ( 0.000 0.000 13.518) 13.518 8.818 ( 0.000 0.000 -2.749) 2.749 8.818 ( 0.000 0.000 2.749) 2.749 8.928 ( 0.000 0.000 -7.893) 7.893 8.928 ( 0.000 0.000 7.893) 7.893 9.349 ( 0.000 0.000 -6.942) 6.942 9.349 ( 0.000 0.000 6.942) 6.942 9.755 ( 0.000 0.000 -2.337) 2.337 9.755 ( 0.000 0.000 2.337) 2.337 9.774 ( 0.000 0.000 -0.268) 0.268 9.774 ( 0.000 0.000 0.268) 0.268 10.227 ( 0.000 0.000 -2.709) 2.709 10.227 ( 0.000 0.000 2.709) 2.709 10.304 ( 0.000 0.000 -1.335) 1.335 10.304 ( 0.000 0.000 1.335) 1.335 11.118 ( 0.000 0.000 -5.245) 5.245 11.118 ( 0.000 0.000 5.245) 5.245 11.450 ( 0.000 0.000 -22.213) 22.213 11.450 ( 0.000 0.000 22.213) 22.213 12.681 ( 0.000 0.000 -28.938) 28.938 12.681 ( 0.000 0.000 28.938) 28.938 12.940 ( 0.000 0.000 -22.602) 22.602 12.940 ( 0.000 0.000 22.602) 22.602 13.498 ( 0.000 0.000 -8.619) 8.619 13.498 ( 0.000 0.000 8.619) 8.619 14.874 ( 0.000 0.000 -6.091) 6.091 14.874 ( 0.000 0.000 6.091) 6.091 ======================= Grid point 254 (82/100) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 5.146 0.000 -14.621) 15.500 2.311 ( 5.146 0.000 14.621) 15.500 2.708 ( 14.855 0.000 -21.970) 26.521 2.708 ( 14.855 0.000 21.970) 26.521 3.415 ( -1.501 0.000 -9.564) 9.681 3.415 ( -1.501 0.000 9.564) 9.681 3.878 ( 2.266 0.000 -20.412) 20.538 3.878 ( 2.266 0.000 20.412) 20.538 4.435 ( -16.602 0.000 -4.179) 17.119 4.435 ( -16.602 0.000 4.179) 17.119 4.607 ( -10.007 0.000 -22.737) 24.842 4.607 ( -10.007 0.000 22.737) 24.842 4.941 ( 4.499 0.000 -11.342) 12.202 4.941 ( 4.499 0.000 11.342) 12.202 5.509 ( -2.467 0.000 -8.257) 8.618 5.509 ( -2.467 0.000 8.257) 8.618 5.648 ( -0.545 0.000 -18.200) 18.208 5.648 ( -0.545 0.000 18.200) 18.208 5.826 ( 2.155 0.000 -2.879) 3.597 5.826 ( 2.155 0.000 2.879) 3.597 6.130 ( 2.408 0.000 -20.180) 20.323 6.130 ( 2.408 0.000 20.180) 20.323 6.735 ( -0.490 0.000 -10.045) 10.057 6.735 ( -0.490 0.000 10.045) 10.057 7.118 ( 6.971 0.000 -18.773) 20.026 7.118 ( 6.971 0.000 18.773) 20.026 7.528 ( -7.259 0.000 -7.159) 10.195 7.528 ( -7.259 0.000 7.159) 10.195 7.687 ( -13.232 0.000 -11.602) 17.598 7.687 ( -13.232 0.000 11.602) 17.598 7.907 ( 10.805 0.000 -1.447) 10.902 7.907 ( 10.805 0.000 1.447) 10.902 8.345 ( 6.997 0.000 -14.688) 16.269 8.345 ( 6.997 0.000 14.688) 16.269 8.814 ( -2.061 0.000 -4.563) 5.007 8.814 ( -2.061 0.000 4.563) 5.007 8.999 ( 9.340 0.000 -5.259) 10.719 8.999 ( 9.340 0.000 5.259) 10.719 9.383 ( 3.496 0.000 -5.424) 6.453 9.383 ( 3.496 0.000 5.424) 6.453 9.671 ( -4.829 0.000 -2.482) 5.430 9.671 ( -4.829 0.000 2.482) 5.430 9.840 ( 2.227 0.000 -0.873) 2.392 9.840 ( 2.227 0.000 0.873) 2.392 10.214 ( -0.347 0.000 -0.584) 0.679 10.214 ( -0.347 0.000 0.584) 0.679 10.337 ( 2.453 0.000 -1.468) 2.859 10.337 ( 2.453 0.000 1.468) 2.859 11.123 ( 2.651 0.000 -8.143) 8.564 11.123 ( 2.651 0.000 8.143) 8.564 11.554 ( 9.433 0.000 -21.275) 23.272 11.554 ( 9.433 0.000 21.275) 23.272 12.602 ( -8.835 0.000 -28.607) 29.940 12.602 ( -8.835 0.000 28.607) 29.940 12.718 ( -18.090 0.000 -20.820) 27.581 12.718 ( -18.090 0.000 20.820) 27.581 13.691 ( 15.798 0.000 -10.215) 18.813 13.691 ( 15.798 0.000 10.215) 18.813 14.800 ( -7.650 0.000 -6.157) 9.820 14.800 ( -7.650 0.000 6.157) 9.820 ======================= Grid point 256 (83/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 15.850 0.000 -10.267) 18.885 2.511 ( 15.850 0.000 10.267) 18.885 3.049 ( 16.254 0.000 -11.311) 19.802 3.049 ( 16.254 0.000 11.311) 19.802 3.286 ( -8.279 0.000 -1.409) 8.398 3.286 ( -8.279 0.000 1.409) 8.398 3.928 ( -1.681 0.000 -11.500) 11.622 3.928 ( -1.681 0.000 11.500) 11.622 4.087 ( -14.686 0.000 -2.959) 14.981 4.087 ( -14.686 0.000 2.959) 14.981 4.383 ( -13.352 0.000 -27.809) 30.849 4.383 ( -13.352 0.000 27.809) 30.849 5.069 ( 10.805 0.000 -4.094) 11.555 5.069 ( 10.805 0.000 4.094) 11.555 5.517 ( -2.394 0.000 -12.691) 12.915 5.517 ( -2.394 0.000 12.691) 12.915 5.592 ( -1.474 0.000 -9.129) 9.247 5.592 ( -1.474 0.000 9.129) 9.247 5.782 ( -4.026 0.000 -7.065) 8.132 5.782 ( -4.026 0.000 7.065) 8.132 6.278 ( 9.839 0.000 -27.295) 29.014 6.278 ( 9.839 0.000 27.295) 29.014 6.600 ( -8.963 0.000 -17.866) 19.988 6.600 ( -8.963 0.000 17.866) 19.988 7.332 ( 2.122 0.000 -20.893) 21.000 7.332 ( 2.122 0.000 20.893) 21.000 7.419 ( -4.352 0.000 -11.298) 12.108 7.419 ( -4.352 0.000 11.298) 12.108 7.540 ( 7.482 0.000 -0.098) 7.483 7.540 ( 7.482 0.000 0.098) 7.483 8.006 ( -2.153 0.000 -5.795) 6.182 8.006 ( -2.153 0.000 5.795) 6.182 8.443 ( 5.442 0.000 -13.363) 14.429 8.443 ( 5.442 0.000 13.363) 14.429 8.726 ( -6.800 0.000 -8.259) 10.698 8.726 ( -6.800 0.000 8.259) 10.698 9.237 ( 13.019 0.000 -4.569) 13.798 9.237 ( 13.019 0.000 4.569) 13.798 9.466 ( 3.771 0.000 -3.434) 5.100 9.466 ( 3.771 0.000 3.434) 5.100 9.595 ( -1.762 0.000 -1.147) 2.103 9.595 ( -1.762 0.000 1.147) 2.103 9.820 ( -4.533 0.000 -3.422) 5.679 9.820 ( -4.533 0.000 3.422) 5.679 10.240 ( 3.064 0.000 -1.668) 3.489 10.240 ( 3.064 0.000 1.668) 3.489 10.358 ( -0.867 0.000 -0.268) 0.907 10.358 ( -0.867 0.000 0.268) 0.907 11.284 ( 14.780 0.000 -12.383) 19.282 11.284 ( 14.780 0.000 12.383) 19.282 11.740 ( 7.611 0.000 -20.098) 21.491 11.740 ( 7.611 0.000 20.098) 21.491 12.300 ( -18.231 0.000 -22.705) 29.118 12.300 ( -18.231 0.000 22.705) 29.118 12.439 ( -12.635 0.000 -27.046) 29.851 12.439 ( -12.635 0.000 27.046) 29.851 14.007 ( 17.098 0.000 -9.676) 19.647 14.007 ( 17.098 0.000 9.676) 19.647 14.600 ( -13.096 0.000 -6.736) 14.727 14.600 ( -13.096 0.000 6.736) 14.727 ======================= Grid point 258 (84/100) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -20.304 0.000 -9.166) 22.277 2.869 ( 20.304 0.000 -9.166) 22.277 2.869 ( -20.304 0.000 9.166) 22.277 2.869 ( 20.304 0.000 9.166) 22.277 3.572 ( -24.471 0.000 -17.728) 30.218 3.572 ( 24.471 0.000 -17.728) 30.218 3.572 ( -24.471 0.000 17.728) 30.218 3.572 ( 24.471 0.000 17.728) 30.218 4.148 ( -10.564 0.000 -25.558) 27.655 4.148 ( 10.564 0.000 -25.558) 27.655 4.148 ( -10.564 0.000 25.558) 27.655 4.148 ( 10.564 0.000 25.558) 27.655 5.318 ( -13.867 0.000 -2.008) 14.012 5.318 ( -13.867 0.000 2.008) 14.012 5.318 ( 13.867 0.000 -2.008) 14.012 5.318 ( 13.867 0.000 2.008) 14.012 5.683 ( -6.438 0.000 -14.078) 15.480 5.683 ( 6.438 0.000 -14.078) 15.480 5.683 ( -6.438 0.000 14.078) 15.480 5.683 ( 6.438 0.000 14.078) 15.480 6.445 ( -7.953 0.000 -25.229) 26.452 6.445 ( 7.953 0.000 -25.229) 26.452 6.445 ( -7.953 0.000 25.229) 26.452 6.445 ( 7.953 0.000 25.229) 26.452 7.328 ( -2.422 0.000 -12.489) 12.721 7.328 ( 2.422 0.000 -12.489) 12.721 7.328 ( -2.422 0.000 12.489) 12.721 7.328 ( 2.422 0.000 12.489) 12.721 7.831 ( -14.922 0.000 -5.842) 16.025 7.831 ( 14.922 0.000 -5.842) 16.025 7.831 ( -14.922 0.000 5.842) 16.025 7.831 ( 14.922 0.000 5.842) 16.025 8.578 ( -8.275 0.000 -11.075) 13.825 8.578 ( 8.275 0.000 -11.075) 13.825 8.578 ( -8.275 0.000 11.075) 13.825 8.578 ( 8.275 0.000 11.075) 13.825 9.424 ( -6.699 0.000 -6.381) 9.252 9.424 ( 6.699 0.000 -6.381) 9.252 9.424 ( -6.699 0.000 6.381) 9.252 9.424 ( 6.699 0.000 6.381) 9.252 9.687 ( -8.506 0.000 -4.245) 9.506 9.687 ( 8.506 0.000 -4.245) 9.506 9.687 ( -8.506 0.000 4.245) 9.506 9.687 ( 8.506 0.000 4.245) 9.506 10.310 ( -3.708 0.000 -1.635) 4.052 10.310 ( 3.708 0.000 -1.635) 4.052 10.310 ( -3.708 0.000 1.635) 4.052 10.310 ( 3.708 0.000 1.635) 4.052 11.629 ( -18.523 0.000 -15.003) 23.836 11.629 ( 18.523 0.000 -15.003) 23.836 11.629 ( -18.523 0.000 15.003) 23.836 11.629 ( 18.523 0.000 15.003) 23.836 12.213 ( -9.130 0.000 -27.007) 28.508 12.213 ( 9.130 0.000 -27.007) 28.508 12.213 ( -9.130 0.000 27.007) 28.508 12.213 ( 9.130 0.000 27.007) 28.508 14.322 ( -16.011 0.000 -8.102) 17.944 14.322 ( 16.011 0.000 -8.102) 17.944 14.322 ( -16.011 0.000 8.102) 17.944 14.322 ( 16.011 0.000 8.102) 17.944 ======================= Grid point 266 (85/100) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.000 9.053 -16.973) 19.237 2.378 ( 0.000 9.053 16.973) 19.237 2.737 ( 0.000 16.626 -21.753) 27.379 2.737 ( 0.000 16.626 21.753) 27.379 3.355 ( 0.000 -4.167 -9.769) 10.621 3.355 ( 0.000 -4.167 9.769) 10.621 3.832 ( 0.000 -2.411 -17.579) 17.744 3.832 ( 0.000 -2.411 17.579) 17.744 4.472 ( 0.000 -8.566 -11.650) 14.460 4.472 ( 0.000 -8.566 11.650) 14.460 4.693 ( 0.000 -6.828 -12.167) 13.952 4.693 ( 0.000 -6.828 12.167) 13.952 4.968 ( 0.000 8.819 -12.440) 15.249 4.968 ( 0.000 8.819 12.440) 15.249 5.586 ( 0.000 -1.160 -12.387) 12.441 5.586 ( 0.000 -1.160 12.387) 12.441 5.650 ( 0.000 1.502 -13.243) 13.328 5.650 ( 0.000 1.502 13.243) 13.328 5.808 ( 0.000 6.204 -8.152) 10.244 5.808 ( 0.000 6.204 8.152) 10.244 6.160 ( 0.000 0.105 -4.432) 4.433 6.160 ( 0.000 0.105 4.432) 4.433 6.694 ( 0.000 3.127 -17.580) 17.856 6.694 ( 0.000 3.127 17.580) 17.856 7.103 ( 0.000 -3.099 -14.740) 15.063 7.103 ( 0.000 -3.099 14.740) 15.063 7.409 ( 0.000 -22.224 -7.892) 23.584 7.409 ( 0.000 -22.224 7.892) 23.584 7.473 ( 0.000 -16.914 -2.597) 17.112 7.473 ( 0.000 -16.914 2.597) 17.112 7.912 ( 0.000 2.096 -6.699) 7.020 7.912 ( 0.000 2.096 6.699) 7.020 8.379 ( 0.000 10.394 -6.475) 12.246 8.379 ( 0.000 10.394 6.475) 12.246 8.717 ( 0.000 -7.767 -2.814) 8.261 8.717 ( 0.000 -7.767 2.814) 8.261 9.007 ( 0.000 5.535 -1.970) 5.875 9.007 ( 0.000 5.535 1.970) 5.875 9.345 ( 0.000 -0.314 -7.516) 7.523 9.345 ( 0.000 -0.314 7.516) 7.523 9.753 ( 0.000 -1.661 -1.175) 2.034 9.753 ( 0.000 -1.661 1.175) 2.034 9.795 ( 0.000 3.593 -2.748) 4.524 9.795 ( 0.000 3.593 2.748) 4.524 10.251 ( 0.000 2.124 -6.168) 6.523 10.251 ( 0.000 2.124 6.168) 6.523 10.284 ( 0.000 -1.855 -3.031) 3.553 10.284 ( 0.000 -1.855 3.031) 3.553 10.994 ( 0.000 -10.081 -6.512) 12.001 10.994 ( 0.000 -10.081 6.512) 12.001 11.265 ( 0.000 -15.647 -18.127) 23.947 11.265 ( 0.000 -15.647 18.127) 23.947 12.846 ( 0.000 14.409 -27.857) 31.363 12.846 ( 0.000 14.409 27.857) 31.363 13.043 ( 0.000 8.107 -17.625) 19.400 13.043 ( 0.000 8.107 17.625) 19.400 13.554 ( 0.000 5.091 -8.619) 10.010 13.554 ( 0.000 5.091 8.619) 10.010 14.817 ( 0.000 -5.290 -6.494) 8.376 14.817 ( 0.000 -5.290 6.494) 8.376 ======================= Grid point 268 (86/100) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 1.110 6.017 -14.696) 15.918 2.363 ( 1.110 6.017 14.696) 15.918 2.890 ( 13.973 15.254 -18.981) 28.075 2.890 ( 13.973 15.254 18.981) 28.075 3.345 ( -2.879 -5.400 -8.852) 10.762 3.345 ( -2.879 -5.400 8.852) 10.762 3.838 ( 0.298 -3.203 -18.290) 18.571 3.838 ( 0.298 -3.203 18.290) 18.571 4.398 ( -6.709 -2.848 -6.995) 10.102 4.398 ( -6.709 -2.848 6.995) 10.102 4.566 ( -10.316 -4.387 -19.229) 22.259 4.566 ( -10.316 -4.387 19.229) 22.259 5.015 ( 2.212 6.535 -8.812) 11.192 5.015 ( 2.212 6.535 8.812) 11.192 5.496 ( -2.865 -1.754 -4.093) 5.295 5.496 ( -2.865 -1.754 4.093) 5.295 5.675 ( -3.518 2.326 -5.344) 6.808 5.675 ( -3.518 2.326 5.344) 6.808 5.857 ( 3.041 3.286 -2.277) 5.023 5.857 ( 3.041 3.286 2.277) 5.023 6.130 ( 2.543 0.155 -16.167) 16.366 6.130 ( 2.543 0.155 16.167) 16.366 6.758 ( -2.680 1.568 -9.110) 9.624 6.758 ( -2.680 1.568 9.110) 9.624 7.080 ( 4.176 -5.417 -19.140) 20.325 7.080 ( 4.176 -5.417 19.140) 20.325 7.318 ( -4.544 -17.885 -7.385) 19.876 7.318 ( -4.544 -17.885 7.385) 19.876 7.494 ( 0.261 -10.334 -2.499) 10.635 7.494 ( 0.261 -10.334 2.499) 10.635 8.063 ( 11.412 3.920 -3.659) 12.609 8.063 ( 11.412 3.920 3.659) 12.609 8.368 ( -1.516 4.267 -4.509) 6.390 8.368 ( -1.516 4.267 4.509) 6.390 8.694 ( -2.621 -8.689 -4.601) 10.175 8.694 ( -2.621 -8.689 4.601) 10.175 9.063 ( 6.257 3.837 -2.737) 7.834 9.063 ( 6.257 3.837 2.737) 7.834 9.382 ( 3.715 -0.054 -5.688) 6.793 9.382 ( 3.715 -0.054 5.688) 6.793 9.689 ( -4.203 1.013 -2.600) 5.045 9.689 ( -4.203 1.013 2.600) 5.045 9.838 ( 1.455 0.509 -1.365) 2.059 9.838 ( 1.455 0.509 1.365) 2.059 10.237 ( -0.000 1.944 -3.113) 3.670 10.237 ( -0.000 1.944 3.113) 3.670 10.327 ( 2.769 -1.111 -2.432) 3.849 10.327 ( 2.769 -1.111 2.432) 3.849 10.991 ( 1.245 -10.698 -8.433) 13.679 10.991 ( 1.245 -10.698 8.433) 13.679 11.331 ( 5.440 -18.068 -15.336) 24.316 11.331 ( 5.440 -18.068 15.336) 24.316 12.765 ( -8.671 13.787 -22.097) 27.451 12.765 ( -8.671 13.787 22.097) 27.451 12.885 ( -12.137 13.293 -10.068) 20.625 12.885 ( -12.137 13.293 10.068) 20.625 13.725 ( 14.293 3.050 -10.433) 17.957 13.725 ( 14.293 3.050 10.433) 17.957 14.749 ( -6.974 -4.683 -6.653) 10.716 14.749 ( -6.974 -4.683 6.653) 10.716 ======================= Grid point 270 (87/100) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 12.115 -0.006 -11.036) 16.389 2.485 ( 12.115 -0.006 11.036) 16.389 3.094 ( -6.712 -2.430 -5.432) 8.970 3.094 ( -6.712 -2.430 5.432) 8.970 3.301 ( 11.769 7.443 -14.227) 19.908 3.301 ( 11.769 7.443 14.227) 19.908 3.826 ( -2.765 -5.197 -20.379) 21.212 3.826 ( -2.765 -5.197 20.379) 21.212 4.230 ( -9.280 6.551 -9.606) 14.876 4.230 ( -9.280 6.551 9.606) 14.876 4.376 ( -10.534 0.557 -19.287) 21.983 4.376 ( -10.534 0.557 19.287) 21.983 5.066 ( 5.950 0.091 -2.873) 6.609 5.066 ( 5.950 0.091 2.873) 6.609 5.450 ( -7.669 -5.559 -8.807) 12.934 5.450 ( -7.669 -5.559 8.807) 12.934 5.622 ( 4.163 2.843 -8.161) 9.592 5.622 ( 4.163 2.843 8.161) 9.592 5.866 ( -2.069 6.264 -8.027) 10.390 5.866 ( -2.069 6.264 8.027) 10.390 6.269 ( 9.131 -0.528 -23.972) 25.658 6.269 ( 9.131 -0.528 23.972) 25.658 6.604 ( -9.651 0.902 -13.456) 16.584 6.604 ( -9.651 0.902 13.456) 16.584 7.109 ( -0.439 -16.676 -13.853) 21.684 7.109 ( -0.439 -16.676 13.853) 21.684 7.302 ( -4.617 -8.627 -17.605) 20.141 7.302 ( -4.617 -8.627 17.605) 20.141 7.605 ( 15.844 1.390 -1.641) 15.990 7.605 ( 15.844 1.390 1.641) 15.990 8.171 ( -4.856 10.646 -1.342) 11.778 8.171 ( -4.856 10.646 1.342) 11.778 8.363 ( 4.807 -6.704 -9.338) 12.460 8.363 ( 4.807 -6.704 9.338) 12.460 8.616 ( -5.451 -8.088 -7.616) 12.375 8.616 ( -5.451 -8.088 7.616) 12.375 9.230 ( 10.180 -0.810 -4.540) 11.175 9.230 ( 10.180 -0.810 4.540) 11.175 9.457 ( 2.221 -0.865 -0.560) 2.449 9.457 ( 2.221 -0.865 0.560) 2.449 9.628 ( -0.614 2.329 -2.453) 3.438 9.628 ( -0.614 2.329 2.453) 3.438 9.815 ( -3.955 -0.225 -3.457) 5.258 9.815 ( -3.955 -0.225 3.457) 5.258 10.265 ( 2.737 2.171 -2.978) 4.591 10.265 ( 2.737 2.171 2.978) 4.591 10.355 ( -0.208 -0.420 -0.838) 0.960 10.355 ( -0.208 -0.420 0.838) 0.960 11.092 ( 9.693 -14.819 -10.174) 20.422 11.092 ( 9.693 -14.819 10.174) 20.422 11.404 ( 0.517 -23.044 -7.489) 24.236 11.404 ( 0.517 -23.044 7.489) 24.236 12.571 ( -8.734 18.044 -3.418) 20.336 12.571 ( -8.734 18.044 3.418) 20.336 12.673 ( -10.282 18.459 -14.522) 25.638 12.673 ( -10.282 18.459 14.522) 25.638 14.016 ( 15.873 0.722 -10.316) 18.944 14.016 ( 15.873 0.722 10.316) 18.944 14.566 ( -12.069 -3.171 -7.423) 14.520 14.566 ( -12.069 -3.171 7.423) 14.520 ======================= Grid point 272 (88/100) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -17.405 -4.963 -10.502) 20.925 2.790 ( 7.593 -4.963 -9.112) 12.857 2.790 ( -7.593 -4.963 9.112) 12.857 2.790 ( 17.405 -4.963 10.502) 20.925 3.640 ( -16.811 3.994 -20.473) 26.789 3.640 ( 16.172 3.994 -20.415) 26.349 3.640 ( -16.172 3.994 20.415) 26.349 3.640 ( 16.811 3.994 20.473) 26.789 4.192 ( -5.791 4.497 -17.829) 19.278 4.192 ( 5.556 4.497 -17.821) 19.201 4.192 ( -5.556 4.497 17.821) 19.201 4.192 ( 5.791 4.497 17.829) 19.278 5.247 ( -10.301 -5.363 -2.617) 11.905 5.247 ( -7.567 -5.363 -1.193) 9.351 5.247 ( 7.567 -5.363 1.193) 9.351 5.247 ( 10.301 -5.363 2.617) 11.905 5.767 ( -8.040 5.871 -10.308) 14.330 5.767 ( 8.015 5.871 -10.305) 14.315 5.767 ( -8.015 5.871 10.305) 14.315 5.767 ( 8.040 5.871 10.308) 14.330 6.433 ( -8.061 -0.373 -21.342) 22.817 6.433 ( 7.706 -0.373 -21.328) 22.680 6.433 ( -7.706 -0.373 21.328) 22.680 6.433 ( 8.061 -0.373 21.342) 22.817 7.170 ( -6.704 -11.485 -16.145) 20.917 7.170 ( 6.694 -11.485 -16.145) 20.913 7.170 ( -6.694 -11.485 16.145) 20.913 7.170 ( 6.704 -11.485 16.145) 20.917 7.941 ( -16.703 4.849 -1.709) 17.477 7.941 ( -16.396 4.849 1.339) 17.150 7.941 ( 16.396 4.849 -1.339) 17.150 7.941 ( 16.703 4.849 1.709) 17.477 8.495 ( -6.967 -5.645 -9.563) 13.109 8.495 ( 6.526 -5.645 -9.528) 12.855 8.495 ( -6.526 -5.645 9.528) 12.855 8.495 ( 6.967 -5.645 9.563) 13.109 9.400 ( -6.869 -2.084 -5.960) 9.329 9.400 ( 6.125 -2.084 -5.869) 8.735 9.400 ( -6.125 -2.084 5.869) 8.735 9.400 ( 6.869 -2.084 5.960) 9.329 9.706 ( -6.125 1.290 -5.428) 8.285 9.706 ( 4.032 1.290 -5.205) 6.710 9.706 ( -4.032 1.290 5.205) 6.710 9.706 ( 6.125 1.290 5.428) 8.285 10.322 ( -2.332 1.005 -3.895) 4.650 10.322 ( 1.637 1.005 -3.856) 4.308 10.322 ( -1.637 1.005 3.856) 4.308 10.322 ( 2.332 1.005 3.895) 4.650 11.305 ( -9.876 -21.867 -6.829) 24.947 11.305 ( 6.442 -21.867 -6.357) 23.666 11.305 ( -6.442 -21.867 6.357) 23.666 11.305 ( 9.876 -21.867 6.829) 24.947 12.524 ( -2.718 20.994 -17.812) 27.666 12.524 ( 2.359 20.994 -17.807) 27.629 12.524 ( -2.359 20.994 17.807) 27.629 12.524 ( 2.718 20.994 17.812) 27.666 14.309 ( -14.823 -1.293 -8.969) 17.373 14.309 ( 14.155 -1.293 -8.848) 16.742 14.309 ( -14.155 -1.293 8.848) 16.742 14.309 ( 14.823 -1.293 8.969) 17.373 ======================= Grid point 280 (89/100) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 11.857 -11.801) 16.728 2.604 ( 0.000 11.857 11.801) 16.728 3.074 ( 0.000 7.048 -4.838) 8.549 3.074 ( 0.000 7.048 4.838) 8.549 3.360 ( 0.000 12.555 -2.360) 12.775 3.360 ( 0.000 12.555 2.360) 12.775 3.784 ( 0.000 -1.367 -12.564) 12.639 3.784 ( 0.000 -1.367 12.564) 12.639 4.330 ( 0.000 -4.395 -6.960) 8.231 4.330 ( 0.000 -4.395 6.960) 8.231 4.560 ( 0.000 -5.643 -11.925) 13.193 4.560 ( 0.000 -5.643 11.925) 13.193 5.074 ( 0.000 0.068 -4.420) 4.420 5.074 ( 0.000 0.068 4.420) 4.420 5.550 ( 0.000 -2.543 -7.418) 7.841 5.550 ( 0.000 -2.543 7.418) 7.841 5.761 ( 0.000 10.247 -16.236) 19.200 5.761 ( 0.000 10.247 16.236) 19.200 5.882 ( 0.000 -0.180 -11.574) 11.576 5.882 ( 0.000 -0.180 11.574) 11.576 6.182 ( 0.000 1.931 -9.694) 9.885 6.182 ( 0.000 1.931 9.694) 9.885 6.672 ( 0.000 -9.216 -16.338) 18.757 6.672 ( 0.000 -9.216 16.338) 18.757 6.893 ( 0.000 -19.129 -8.944) 21.117 6.893 ( 0.000 -19.129 8.944) 21.117 7.076 ( 0.000 -19.468 -10.253) 22.003 7.076 ( 0.000 -19.468 10.253) 22.003 7.099 ( 0.000 -1.199 -11.040) 11.105 7.099 ( 0.000 -1.199 11.040) 11.105 7.873 ( 0.000 -8.298 -0.191) 8.300 7.873 ( 0.000 -8.298 0.191) 8.300 8.552 ( 0.000 6.589 -1.740) 6.815 8.552 ( 0.000 6.589 1.740) 6.815 8.612 ( 0.000 0.145 -2.743) 2.746 8.612 ( 0.000 0.145 2.743) 2.746 9.085 ( 0.000 1.340 -5.899) 6.049 9.085 ( 0.000 1.340 5.899) 6.049 9.334 ( 0.000 -1.135 -7.890) 7.972 9.334 ( 0.000 -1.135 7.890) 7.972 9.738 ( 0.000 0.884 -3.747) 3.850 9.738 ( 0.000 0.884 3.747) 3.850 9.880 ( 0.000 4.173 -2.243) 4.737 9.880 ( 0.000 4.173 2.243) 4.737 10.222 ( 0.000 -4.290 -3.753) 5.700 10.222 ( 0.000 -4.290 3.753) 5.700 10.288 ( 0.000 0.340 -11.249) 11.254 10.288 ( 0.000 0.340 11.249) 11.254 10.807 ( 0.000 -6.619 -4.697) 8.116 10.807 ( 0.000 -6.619 4.697) 8.116 10.929 ( 0.000 -14.757 -12.148) 19.114 10.929 ( 0.000 -14.757 12.148) 19.114 13.170 ( 0.000 14.748 -24.213) 28.351 13.170 ( 0.000 14.748 24.213) 28.351 13.199 ( 0.000 6.480 -9.304) 11.338 13.199 ( 0.000 6.480 9.304) 11.338 13.691 ( 0.000 8.553 -7.431) 11.331 13.691 ( 0.000 8.553 7.431) 11.331 14.675 ( 0.000 -8.372 -7.914) 11.521 14.675 ( 0.000 -8.372 7.914) 11.521 ======================= Grid point 282 (90/100) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -3.143 10.949 -9.649) 14.928 2.550 ( -3.143 10.949 9.649) 14.928 3.118 ( 1.382 0.323 -0.420) 1.480 3.118 ( 1.382 0.323 0.420) 1.480 3.379 ( 2.750 14.844 -8.840) 17.494 3.379 ( 2.750 14.844 8.840) 17.494 3.790 ( 0.013 -0.175 -14.367) 14.368 3.790 ( 0.013 -0.175 14.367) 14.368 4.325 ( -1.028 -4.205 -2.624) 5.062 4.325 ( -1.028 -4.205 2.624) 5.062 4.468 ( -5.939 -3.757 -8.001) 10.649 4.468 ( -5.939 -3.757 8.001) 10.649 5.131 ( 2.345 2.569 -4.470) 5.664 5.131 ( 2.345 2.569 4.470) 5.664 5.439 ( -6.388 -3.419 -8.500) 11.169 5.439 ( -6.388 -3.419 8.500) 11.169 5.715 ( -8.446 0.705 -10.360) 13.385 5.715 ( -8.446 0.705 10.360) 13.385 5.969 ( 7.034 7.943 -8.854) 13.819 5.969 ( 7.034 7.943 8.854) 13.819 6.139 ( 1.517 0.692 -7.791) 7.967 6.139 ( 1.517 0.692 7.791) 7.967 6.692 ( -2.814 -12.172 -9.891) 15.935 6.692 ( -2.814 -12.172 9.891) 15.935 6.845 ( -4.420 -15.462 -2.959) 16.351 6.845 ( -4.420 -15.462 2.959) 16.351 7.040 ( 6.022 -6.480 -3.124) 9.382 7.040 ( 6.022 -6.480 3.124) 9.382 7.282 ( 10.310 -8.588 -7.983) 15.614 7.282 ( 10.310 -8.588 7.983) 15.614 7.970 ( 8.087 -12.260 -1.826) 14.800 7.970 ( 8.087 -12.260 1.826) 14.800 8.506 ( -4.208 7.456 -3.158) 9.125 8.506 ( -4.208 7.456 3.158) 9.125 8.593 ( -2.074 0.749 -3.811) 4.403 8.593 ( -2.074 0.749 3.811) 4.403 9.096 ( 2.111 -0.851 -5.403) 5.863 9.096 ( 2.111 -0.851 5.403) 5.863 9.378 ( 3.705 -0.873 -6.179) 7.258 9.378 ( 3.705 -0.873 6.179) 7.258 9.704 ( -2.872 1.127 -4.314) 5.304 9.704 ( -2.872 1.127 4.314) 5.304 9.871 ( -1.538 2.071 -2.397) 3.522 9.871 ( -1.538 2.071 2.397) 3.522 10.251 ( 2.712 -2.126 -1.810) 3.893 10.251 ( 2.712 -2.126 1.810) 3.893 10.302 ( 1.441 -0.776 -9.408) 9.549 10.302 ( 1.441 -0.776 9.408) 9.549 10.792 ( -0.478 -7.131 -5.182) 8.828 10.792 ( -0.478 -7.131 5.182) 8.828 10.961 ( 2.308 -15.536 -8.646) 17.929 10.961 ( 2.308 -15.536 8.646) 17.929 13.045 ( -8.559 11.607 -8.591) 16.787 13.045 ( -8.559 11.607 8.591) 16.787 13.176 ( -4.754 14.065 -12.764) 19.579 13.176 ( -4.754 14.065 12.764) 19.579 13.806 ( 10.483 5.107 -10.058) 15.399 13.806 ( 10.483 5.107 10.058) 15.399 14.622 ( -5.427 -7.530 -8.192) 12.380 14.622 ( -5.427 -7.530 8.192) 12.380 ======================= Grid point 284 (91/100) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 5.837 7.655 -6.644) 11.696 2.567 ( 5.837 7.655 6.644) 11.696 3.015 ( -11.610 -1.889 -5.805) 13.117 3.015 ( -11.610 -1.889 5.805) 13.117 3.507 ( 9.598 8.862 -16.818) 21.295 3.507 ( 9.598 8.862 16.818) 21.295 3.769 ( -2.490 0.497 -17.370) 17.555 3.769 ( -2.490 0.497 17.370) 17.555 4.243 ( -3.331 -2.374 -9.526) 10.367 4.243 ( -3.331 -2.374 9.526) 10.367 4.446 ( -1.502 3.928 -7.219) 8.355 4.446 ( -1.502 3.928 7.219) 8.355 5.077 ( -3.521 0.657 -2.688) 4.478 5.077 ( -3.521 0.657 2.688) 4.478 5.326 ( -9.016 -6.782 -5.941) 12.751 5.326 ( -9.016 -6.782 5.941) 12.751 5.665 ( 6.369 1.090 -5.869) 8.729 5.665 ( 6.369 1.090 5.869) 8.729 5.979 ( -4.335 2.991 -6.782) 8.587 5.979 ( -4.335 2.991 6.782) 8.587 6.284 ( 9.511 3.036 -20.071) 22.418 6.284 ( 9.511 3.036 20.071) 22.418 6.626 ( -6.369 -1.065 -8.507) 10.680 6.626 ( -6.369 -1.065 8.507) 10.680 6.781 ( 3.491 -13.181 -14.073) 19.595 6.781 ( 3.491 -13.181 14.073) 19.595 7.107 ( -3.091 -9.560 -12.452) 16.000 7.107 ( -3.091 -9.560 12.452) 16.000 7.530 ( 16.563 -7.079 -4.200) 18.495 7.530 ( 16.563 -7.079 4.200) 18.495 8.046 ( -3.428 -17.258 -5.262) 18.365 8.046 ( -3.428 -17.258 5.262) 18.365 8.448 ( 0.158 10.147 -5.981) 11.780 8.448 ( 0.158 10.147 5.981) 11.780 8.548 ( -2.453 1.990 -4.074) 5.155 8.548 ( -2.453 1.990 4.074) 5.155 9.184 ( 7.077 -3.923 -5.198) 9.618 9.184 ( 7.077 -3.923 5.198) 9.618 9.424 ( -0.524 -2.889 -1.547) 3.319 9.424 ( -0.524 -2.889 1.547) 3.319 9.667 ( 0.174 1.536 -2.937) 3.319 9.667 ( 0.174 1.536 2.937) 3.319 9.814 ( -4.325 -0.152 -2.967) 5.247 9.814 ( -4.325 -0.152 2.967) 5.247 10.302 ( 2.330 0.361 -4.901) 5.439 10.302 ( 2.330 0.361 4.901) 5.439 10.333 ( 1.254 -1.759 -4.347) 4.855 10.333 ( 1.254 -1.759 4.347) 4.855 10.821 ( 3.831 -9.784 -5.448) 11.836 10.821 ( 3.831 -9.784 5.448) 11.836 10.980 ( -1.014 -16.578 -2.371) 16.778 10.980 ( -1.014 -16.578 2.371) 16.777 12.917 ( -3.843 14.969 -8.454) 17.616 12.917 ( -3.843 14.969 8.454) 17.616 13.047 ( -7.880 16.659 -15.357) 23.988 13.047 ( -7.880 16.659 15.357) 23.988 14.033 ( 12.801 1.003 -11.260) 17.078 14.033 ( 12.801 1.003 11.260) 17.078 14.478 ( -9.618 -5.327 -9.150) 14.305 14.478 ( -9.618 -5.327 9.150) 14.305 ======================= Grid point 286 (92/100) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -10.895 2.821 -8.547) 14.131 2.759 ( 1.535 2.821 -7.754) 8.392 2.759 ( -1.535 2.821 7.754) 8.392 2.759 ( 10.895 2.821 8.547) 14.131 3.676 ( -6.168 0.081 -22.430) 23.263 3.676 ( 5.558 0.081 -22.412) 23.091 3.676 ( -5.558 0.081 22.412) 23.091 3.676 ( 6.168 0.081 22.430) 23.263 4.312 ( -7.674 5.923 -7.700) 12.379 4.312 ( 3.276 5.923 -7.344) 9.987 4.312 ( -3.276 5.923 7.344) 9.987 4.312 ( 7.674 5.923 7.700) 12.379 5.140 ( -6.060 -4.858 -5.463) 9.496 5.140 ( -1.129 -4.858 -5.090) 7.126 5.140 ( 1.129 -4.858 5.090) 7.126 5.140 ( 6.060 -4.858 5.463) 9.496 5.840 ( -9.492 0.610 -5.297) 10.887 5.840 ( 7.723 0.610 -4.968) 9.203 5.840 ( -7.723 0.610 4.968) 9.203 5.840 ( 9.492 0.610 5.297) 10.887 6.460 ( -9.205 2.210 -14.455) 17.279 6.460 ( 8.779 2.210 -14.425) 17.031 6.460 ( -8.779 2.210 14.425) 17.031 6.460 ( 9.205 2.210 14.455) 17.279 6.954 ( -10.447 -8.330 -18.696) 22.980 6.954 ( 9.663 -8.330 -18.649) 22.595 6.954 ( -9.663 -8.330 18.649) 22.595 6.954 ( 10.447 -8.330 18.696) 22.980 7.846 ( -15.402 -12.615 -2.795) 20.105 7.846 ( -15.029 -12.615 2.560) 19.788 7.846 ( 15.029 -12.615 -2.560) 19.788 7.846 ( 15.402 -12.615 2.795) 20.105 8.496 ( -3.194 5.644 -2.451) 6.933 8.496 ( 3.189 5.644 -2.450) 6.930 8.496 ( -3.189 5.644 2.450) 6.930 8.496 ( 3.194 5.644 2.451) 6.933 9.335 ( -7.742 -4.701 -5.441) 10.566 9.335 ( 7.724 -4.701 -5.438) 10.552 9.335 ( -7.724 -4.701 5.438) 10.552 9.335 ( 7.742 -4.701 5.441) 10.566 9.723 ( -3.203 0.314 -6.442) 7.201 9.723 ( 1.492 0.314 -6.373) 6.552 9.723 ( -1.492 0.314 6.373) 6.552 9.723 ( 3.203 0.314 6.442) 7.201 10.334 ( -0.889 -0.349 -6.052) 6.126 10.334 ( 0.861 -0.349 -6.051) 6.122 10.334 ( -0.861 -0.349 6.051) 6.122 10.334 ( 0.889 -0.349 6.052) 6.126 10.917 ( -5.061 -14.400 -3.845) 15.741 10.917 ( 4.237 -14.400 -3.733) 15.468 10.917 ( -4.237 -14.400 3.733) 15.468 10.917 ( 5.061 -14.400 3.845) 15.741 12.922 ( -3.544 17.119 -15.713) 23.505 12.922 ( 3.290 17.119 -15.707) 23.464 12.922 ( -3.290 17.119 15.707) 23.464 12.922 ( 3.544 17.119 15.713) 23.505 14.270 ( -12.012 -2.376 -10.637) 16.220 14.270 ( 11.668 -2.376 -10.594) 15.938 14.270 ( -11.668 -2.376 10.594) 15.938 14.270 ( 12.012 -2.376 10.637) 16.220 ======================= Grid point 294 (93/100) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.000 8.682 -5.137) 10.087 2.818 ( 0.000 8.682 5.137) 10.087 3.050 ( 0.000 -3.781 -5.849) 6.965 3.050 ( 0.000 -3.781 5.849) 6.965 3.715 ( 0.000 12.136 -17.957) 21.674 3.715 ( 0.000 12.136 17.957) 21.674 3.796 ( 0.000 1.852 -7.937) 8.150 3.796 ( 0.000 1.852 7.937) 8.150 4.385 ( 0.000 12.947 -3.914) 13.526 4.385 ( 0.000 12.947 3.914) 13.526 4.491 ( 0.000 0.343 -8.234) 8.241 4.491 ( 0.000 0.343 8.234) 8.241 4.967 ( 0.000 -9.183 -7.877) 12.099 4.967 ( 0.000 -9.183 7.877) 12.099 5.419 ( 0.000 -14.282 -9.891) 17.372 5.419 ( 0.000 -14.282 9.891) 17.372 5.829 ( 0.000 -0.702 -12.002) 12.023 5.829 ( 0.000 -0.702 12.002) 12.023 6.033 ( 0.000 14.054 -14.923) 20.499 6.033 ( 0.000 14.054 14.923) 20.499 6.227 ( 0.000 2.259 -15.176) 15.344 6.227 ( 0.000 2.259 15.176) 15.344 6.293 ( 0.000 -20.302 -11.213) 23.193 6.293 ( 0.000 -20.302 11.213) 23.193 6.668 ( 0.000 -6.153 -26.576) 27.279 6.668 ( 0.000 -6.153 26.576) 27.279 6.772 ( 0.000 -9.796 -18.365) 20.814 6.772 ( 0.000 -9.796 18.365) 20.814 7.138 ( 0.000 3.979 -6.113) 7.294 7.138 ( 0.000 3.979 6.113) 7.294 7.589 ( 0.000 -17.046 -3.280) 17.359 7.589 ( 0.000 -17.046 3.280) 17.359 8.665 ( 0.000 4.840 -1.088) 4.961 8.665 ( 0.000 4.840 1.088) 4.961 8.704 ( 0.000 5.837 -1.230) 5.965 8.704 ( 0.000 5.837 1.230) 5.965 9.086 ( 0.000 0.463 -3.413) 3.444 9.086 ( 0.000 0.463 3.413) 3.444 9.280 ( 0.000 -4.467 -8.295) 9.421 9.280 ( 0.000 -4.467 8.295) 9.421 9.789 ( 0.000 3.680 -5.073) 6.267 9.789 ( 0.000 3.680 5.073) 6.267 9.935 ( 0.000 0.319 -0.711) 0.779 9.935 ( 0.000 0.319 0.711) 0.779 10.143 ( 0.000 -2.370 -4.796) 5.350 10.143 ( 0.000 -2.370 4.796) 5.350 10.227 ( 0.000 -5.627 -11.447) 12.755 10.227 ( 0.000 -5.627 11.447) 12.755 10.732 ( 0.000 -1.539 -1.395) 2.077 10.732 ( 0.000 -1.539 1.395) 2.077 10.739 ( 0.000 -3.792 -5.771) 6.906 10.739 ( 0.000 -3.792 5.771) 6.906 13.304 ( 0.000 4.104 -4.755) 6.281 13.304 ( 0.000 4.104 4.755) 6.281 13.365 ( 0.000 3.978 -16.377) 16.853 13.365 ( 0.000 3.978 16.377) 16.853 13.926 ( 0.000 14.249 -9.494) 17.122 13.926 ( 0.000 14.249 9.494) 17.122 14.479 ( 0.000 -10.946 -10.007) 14.831 14.479 ( 0.000 -10.946 10.007) 14.831 ======================= Grid point 296 (94/100) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -4.088 7.616 -2.158) 8.909 2.749 ( -4.088 7.616 2.158) 8.909 3.084 ( 0.913 -1.292 -2.644) 3.081 3.084 ( 0.913 -1.292 2.644) 3.081 3.661 ( -3.125 7.074 -12.287) 14.518 3.661 ( -3.125 7.074 12.287) 14.518 3.870 ( 4.258 6.444 -15.720) 17.515 3.870 ( 4.258 6.444 15.720) 17.515 4.286 ( -9.592 3.105 -8.120) 12.945 4.286 ( -9.592 3.105 8.120) 12.945 4.477 ( 1.682 6.367 -1.535) 6.761 4.477 ( 1.682 6.367 1.535) 6.761 5.060 ( 5.798 -8.701 -6.180) 12.146 5.060 ( 5.798 -8.701 6.180) 12.146 5.321 ( -8.896 -10.916 -9.915) 17.222 5.321 ( -8.896 -10.916 9.915) 17.222 5.719 ( -6.615 2.386 -7.847) 10.537 5.719 ( -6.615 2.386 7.847) 10.537 6.083 ( -7.526 -3.207 -10.076) 12.979 6.083 ( -7.526 -3.207 10.076) 12.979 6.215 ( 11.330 9.296 -15.023) 20.987 6.215 ( 11.330 9.296 15.023) 20.987 6.394 ( 4.324 -12.204 -13.505) 18.709 6.394 ( 4.324 -12.204 13.505) 18.709 6.527 ( -0.179 -10.984 -1.929) 11.153 6.527 ( -0.179 -10.984 1.929) 11.153 7.004 ( 4.506 -0.548 -8.012) 9.208 7.004 ( 4.506 -0.548 8.012) 9.208 7.176 ( 10.482 -1.753 -10.767) 15.129 7.176 ( 10.482 -1.753 10.767) 15.129 7.653 ( 5.228 -16.063 -4.837) 17.571 7.653 ( 5.228 -16.063 4.837) 17.571 8.631 ( -2.287 4.836 -2.535) 5.919 8.631 ( -2.287 4.836 2.535) 5.919 8.685 ( -2.512 5.362 -1.203) 6.042 8.685 ( -2.512 5.362 1.203) 6.042 9.072 ( -0.199 0.311 -5.049) 5.062 9.072 ( -0.199 0.311 5.049) 5.062 9.320 ( 2.636 -4.980 -6.734) 8.780 9.320 ( 2.636 -4.980 6.734) 8.780 9.747 ( -3.469 2.861 -3.401) 5.638 9.747 ( -3.469 2.861 3.401) 5.638 9.887 ( -4.465 -1.186 -2.828) 5.417 9.887 ( -4.465 -1.186 2.828) 5.417 10.193 ( 4.241 -2.082 -2.706) 5.445 10.193 ( 4.241 -2.082 2.706) 5.445 10.247 ( 1.854 -4.496 -10.377) 11.460 10.247 ( 1.854 -4.496 10.377) 11.460 10.711 ( -0.745 -1.362 -0.985) 1.839 10.711 ( -0.745 -1.362 0.985) 1.839 10.764 ( 1.142 -4.176 -2.828) 5.171 10.764 ( 1.142 -4.176 2.828) 5.171 13.226 ( -5.034 6.485 -9.389) 12.472 13.226 ( -5.034 6.485 9.389) 12.472 13.381 ( -1.241 4.868 -13.629) 14.526 13.381 ( -1.241 4.868 13.629) 14.526 13.963 ( 4.096 10.708 -10.337) 15.437 13.963 ( 4.096 10.708 10.337) 15.437 14.446 ( -3.443 -9.832 -10.190) 14.573 14.446 ( -3.443 -9.832 10.190) 14.573 ======================= Grid point 298 (95/100) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 3.782 7.760 -1.219) 8.718 2.740 ( 3.782 7.760 1.219) 8.718 3.033 ( -6.373 2.345 -1.384) 6.930 3.033 ( -6.373 2.345 1.384) 6.930 3.633 ( 0.701 4.235 -13.376) 14.048 3.633 ( 0.701 4.235 13.376) 14.048 3.853 ( -7.223 6.795 -20.562) 22.828 3.853 ( -7.223 6.795 20.562) 22.828 4.201 ( 3.891 -1.103 -4.434) 6.001 4.201 ( 3.891 -1.103 4.434) 6.001 4.509 ( -1.419 1.965 -5.973) 6.446 4.509 ( -1.419 1.965 5.973) 6.446 5.052 ( -4.353 -4.226 -3.533) 7.021 5.052 ( -4.353 -4.226 3.533) 7.021 5.182 ( -5.438 -5.632 -2.763) 8.302 5.182 ( -5.438 -5.632 2.763) 8.302 5.688 ( 3.903 1.959 -4.555) 6.310 5.688 ( 3.903 1.959 4.555) 6.310 5.941 ( -7.139 -6.294 -5.495) 10.990 5.941 ( -7.139 -6.294 5.495) 10.990 6.350 ( 4.236 -0.143 -13.951) 14.581 6.350 ( 4.236 -0.143 13.951) 14.581 6.492 ( 1.245 -8.035 -4.449) 9.269 6.492 ( 1.245 -8.035 4.449) 9.269 6.643 ( 12.588 -0.314 -9.958) 16.054 6.643 ( 12.588 -0.314 9.958) 16.054 6.990 ( -2.617 -2.044 -3.469) 4.803 6.990 ( -2.617 -2.044 3.469) 4.803 7.420 ( 11.489 -2.308 -11.787) 16.621 7.420 ( 11.489 -2.308 11.787) 16.621 7.709 ( -1.062 -13.878 -4.684) 14.686 7.709 ( -1.062 -13.878 4.684) 14.686 8.610 ( 0.353 5.144 -3.407) 6.180 8.610 ( 0.353 5.144 3.407) 6.180 8.639 ( -1.436 5.344 -5.148) 7.557 8.639 ( -1.436 5.344 5.148) 7.557 9.101 ( 3.604 -2.603 -5.218) 6.855 9.101 ( 3.604 -2.603 5.218) 6.855 9.324 ( -3.138 -6.628 -1.564) 7.498 9.324 ( -3.138 -6.628 1.564) 7.498 9.699 ( -0.792 1.722 -3.947) 4.378 9.699 ( -0.792 1.722 3.947) 4.378 9.794 ( -4.759 -2.004 -2.940) 5.942 9.794 ( -4.759 -2.004 2.940) 5.942 10.265 ( 2.863 -2.476 -2.797) 4.706 10.265 ( 2.863 -2.476 2.797) 4.706 10.284 ( 1.753 -3.125 -6.638) 7.543 10.284 ( 1.753 -3.125 6.638) 7.543 10.714 ( 1.100 -1.527 -1.588) 2.463 10.714 ( 1.100 -1.527 1.588) 2.463 10.771 ( -0.514 -4.536 -0.691) 4.617 10.771 ( -0.514 -4.536 0.691) 4.617 13.163 ( -0.950 9.017 -13.672) 16.405 13.163 ( -0.950 9.017 13.672) 16.405 13.306 ( -5.920 7.936 -15.960) 18.782 13.306 ( -5.920 7.936 15.960) 18.782 14.075 ( 7.315 3.741 -11.797) 14.376 14.075 ( 7.315 3.741 11.797) 14.376 14.354 ( -6.181 -6.764 -10.889) 14.231 14.354 ( -6.181 -6.764 10.889) 14.231 ======================= Grid point 300 (96/100) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -6.065 6.367 -5.057) 10.143 2.874 ( -2.435 6.367 -4.706) 8.283 2.874 ( 2.435 6.367 4.706) 8.283 2.874 ( 6.065 6.367 5.057) 10.143 3.701 ( -6.447 3.634 -18.150) 19.601 3.701 ( 6.358 3.634 -18.147) 19.569 3.701 ( -6.358 3.634 18.147) 19.569 3.701 ( 6.447 3.634 18.150) 19.601 4.369 ( -10.625 -1.461 -7.489) 13.081 4.369 ( 7.680 -1.461 -7.078) 10.546 4.369 ( -7.680 -1.461 7.078) 10.546 4.369 ( 10.625 -1.461 7.489) 13.081 5.069 ( -4.433 -1.304 -3.265) 5.658 5.069 ( 0.486 -1.304 -2.916) 3.231 5.069 ( -0.486 -1.304 2.916) 3.231 5.069 ( 4.433 -1.304 3.265) 5.658 5.807 ( -6.554 -3.205 -4.879) 8.777 5.807 ( 3.496 -3.205 -4.515) 6.548 5.807 ( -3.496 -3.205 4.515) 6.548 5.807 ( 6.554 -3.205 4.879) 8.777 6.439 ( -4.560 -4.299 -11.430) 13.035 6.439 ( 4.344 -4.299 -11.421) 12.953 6.439 ( -4.344 -4.299 11.421) 12.953 6.439 ( 4.560 -4.299 11.430) 13.035 6.880 ( -9.516 0.310 -6.886) 11.750 6.880 ( 7.074 0.310 -6.551) 9.646 6.880 ( -7.074 0.310 6.551) 9.646 6.880 ( 9.516 0.310 6.886) 11.750 7.607 ( -8.485 -8.001 -3.021) 12.047 7.607 ( 2.026 -8.001 -1.258) 8.349 7.607 ( -2.026 -8.001 1.258) 8.349 7.607 ( 8.485 -8.001 3.021) 12.047 8.626 ( -0.512 5.645 -5.056) 7.595 8.626 ( 0.485 5.645 -5.055) 7.593 8.626 ( -0.485 5.645 5.055) 7.593 8.626 ( 0.512 5.645 5.056) 7.595 9.211 ( -7.027 -6.529 -4.839) 10.743 9.211 ( 4.800 -6.529 -4.526) 9.282 9.211 ( -4.800 -6.529 4.526) 9.282 9.211 ( 7.027 -6.529 4.839) 10.743 9.721 ( -1.437 -0.387 -7.004) 7.160 9.721 ( 0.832 -0.386 -6.993) 7.053 9.721 ( -0.832 -0.387 6.993) 7.053 9.721 ( 1.437 -0.386 7.004) 7.160 10.297 ( -0.437 -2.688 -5.600) 6.227 10.297 ( 0.425 -2.688 -5.600) 6.226 10.297 ( -0.425 -2.688 5.600) 6.226 10.297 ( 0.437 -2.688 5.600) 6.227 10.746 ( -1.808 -3.219 -1.537) 4.000 10.746 ( 1.316 -3.219 -1.480) 3.780 10.746 ( -1.316 -3.219 1.480) 3.780 10.746 ( 1.808 -3.219 1.537) 4.000 13.199 ( -4.382 9.597 -16.218) 19.347 13.199 ( 4.343 9.597 -16.217) 19.337 13.199 ( -4.343 9.597 16.217) 19.337 13.199 ( 4.382 9.597 16.218) 19.347 14.220 ( -7.673 -2.209 -11.804) 14.251 14.220 ( 7.642 -2.209 -11.802) 14.232 14.220 ( -7.642 -2.209 11.802) 14.232 14.220 ( 7.673 -2.209 11.804) 14.251 ======================= Grid point 308 (97/100) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 0.000 -4.417 -1.915) 4.814 2.959 ( 0.000 -4.417 1.915) 4.814 2.959 ( 0.000 4.417 -1.915) 4.814 2.959 ( 0.000 4.417 1.915) 4.814 3.812 ( 0.000 -0.161 -14.137) 14.138 3.812 ( 0.000 0.161 -14.137) 14.138 3.812 ( 0.000 -0.161 14.137) 14.138 3.812 ( 0.000 0.161 14.137) 14.138 4.592 ( 0.000 -4.328 -6.201) 7.562 4.592 ( 0.000 4.328 -6.201) 7.562 4.592 ( 0.000 -4.328 6.201) 7.562 4.592 ( 0.000 4.328 6.201) 7.562 4.985 ( 0.000 -20.985 -6.137) 21.864 4.985 ( 0.000 -20.985 6.137) 21.864 4.985 ( 0.000 20.985 -6.137) 21.864 4.985 ( 0.000 20.985 6.137) 21.864 5.951 ( 0.000 -11.248 -10.440) 15.346 5.951 ( 0.000 11.248 -10.440) 15.346 5.951 ( 0.000 -11.248 10.440) 15.346 5.951 ( 0.000 11.248 10.440) 15.346 6.239 ( 0.000 -2.986 -5.333) 6.112 6.239 ( 0.000 2.986 -5.333) 6.112 6.239 ( 0.000 -2.986 5.333) 6.112 6.239 ( 0.000 2.986 5.333) 6.112 6.636 ( 0.000 -1.236 -23.312) 23.345 6.636 ( 0.000 1.236 -23.312) 23.345 6.636 ( 0.000 -1.236 23.312) 23.345 6.636 ( 0.000 1.236 23.312) 23.345 7.282 ( 0.000 -10.422 -3.506) 10.996 7.282 ( 0.000 -10.422 3.506) 10.996 7.282 ( 0.000 10.422 -3.506) 10.996 7.282 ( 0.000 10.422 3.506) 10.996 8.744 ( 0.000 -2.050 -2.842) 3.504 8.744 ( 0.000 2.050 -2.842) 3.504 8.744 ( 0.000 -2.050 2.842) 3.504 8.744 ( 0.000 2.050 2.842) 3.504 9.161 ( 0.000 -6.148 -7.092) 9.386 9.161 ( 0.000 6.148 -7.092) 9.386 9.161 ( 0.000 -6.148 7.092) 9.386 9.161 ( 0.000 6.148 7.092) 9.386 9.879 ( 0.000 -4.733 -4.964) 6.859 9.879 ( 0.000 4.733 -4.964) 6.859 9.879 ( 0.000 -4.733 4.964) 6.859 9.879 ( 0.000 4.733 4.964) 6.859 10.140 ( 0.000 -2.014 -3.557) 4.088 10.140 ( 0.000 2.014 -3.557) 4.088 10.140 ( 0.000 -2.014 3.557) 4.088 10.140 ( 0.000 2.014 3.557) 4.088 10.716 ( 0.000 -0.136 -1.308) 1.315 10.716 ( 0.000 0.136 -1.308) 1.315 10.716 ( 0.000 -0.136 1.308) 1.315 10.716 ( 0.000 0.136 1.308) 1.315 13.371 ( 0.000 -1.719 -9.931) 10.079 13.371 ( 0.000 1.719 -9.931) 10.079 13.371 ( 0.000 -1.719 9.931) 10.079 13.371 ( 0.000 1.719 9.931) 10.079 14.224 ( 0.000 -13.965 -11.365) 18.005 14.224 ( 0.000 13.965 -11.365) 18.005 14.224 ( 0.000 -13.965 11.365) 18.005 14.224 ( 0.000 13.965 11.365) 18.005 ======================= Grid point 312 (98/100) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -4.334 0.000 -2.669) 5.089 2.833 ( -4.334 0.000 2.669) 5.089 3.072 ( 3.205 0.000 -1.484) 3.532 3.072 ( 3.205 0.000 1.484) 3.532 3.707 ( -4.003 -0.000 -9.625) 10.425 3.707 ( -4.003 0.000 9.625) 10.425 3.927 ( 4.789 0.000 -18.551) 19.159 3.927 ( 4.789 0.000 18.551) 19.159 4.392 ( -11.281 0.000 -4.748) 12.239 4.392 ( -11.281 -0.000 4.748) 12.239 4.629 ( -4.961 -0.000 -8.657) 9.978 4.629 ( -4.961 0.000 8.657) 9.978 4.959 ( 2.308 0.000 -9.672) 9.944 4.959 ( 2.308 -0.000 9.672) 9.944 5.067 ( 3.422 0.000 -6.359) 7.221 5.067 ( 3.422 0.000 6.359) 7.221 5.818 ( -5.415 -0.000 -6.377) 8.366 5.818 ( -5.415 0.000 6.377) 8.366 5.940 ( -7.879 -0.000 -12.715) 14.958 5.940 ( -7.879 0.000 12.715) 14.958 6.277 ( 1.770 0.000 -11.332) 11.469 6.277 ( 1.770 0.000 11.332) 11.469 6.330 ( 6.023 0.000 -7.759) 9.822 6.330 ( 6.023 -0.000 7.759) 9.822 6.455 ( 5.517 0.000 -17.897) 18.728 6.455 ( 5.517 -0.000 17.897) 18.728 6.993 ( 8.996 0.000 -11.128) 14.309 6.993 ( 8.996 -0.000 11.128) 14.309 7.177 ( 5.042 0.000 -7.791) 9.280 7.177 ( 5.042 0.000 7.791) 9.280 7.448 ( 7.590 -0.000 -8.064) 11.075 7.448 ( 7.590 0.000 8.064) 11.075 8.698 ( -2.739 0.000 -2.072) 3.434 8.698 ( -2.739 0.000 2.072) 3.434 8.726 ( -2.544 0.000 -3.687) 4.479 8.726 ( -2.544 -0.000 3.687) 4.479 9.126 ( -1.206 0.000 -4.154) 4.326 9.126 ( -1.206 -0.000 4.154) 4.326 9.218 ( 2.403 0.000 -7.575) 7.947 9.218 ( 2.403 0.000 7.575) 7.947 9.806 ( -4.799 0.000 -1.904) 5.163 9.806 ( -4.799 0.000 1.904) 5.163 9.838 ( -4.801 -0.000 -9.336) 10.498 9.838 ( -4.801 0.000 9.336) 10.498 10.182 ( 3.151 -0.000 -7.629) 8.254 10.182 ( 3.151 0.000 7.629) 8.254 10.183 ( 3.793 -0.000 -2.239) 4.404 10.183 ( 3.793 0.000 2.239) 4.404 10.706 ( -0.262 -0.000 -2.823) 2.835 10.706 ( -0.262 0.000 2.823) 2.835 10.730 ( 0.554 0.000 -1.470) 1.571 10.730 ( 0.554 0.000 1.470) 1.571 13.302 ( -3.328 0.000 -14.942) 15.309 13.302 ( -3.328 -0.000 14.942) 15.309 13.411 ( 0.267 0.000 -8.790) 8.794 13.411 ( 0.267 0.000 8.790) 8.794 14.179 ( -2.027 0.000 -12.666) 12.827 14.179 ( -2.027 -0.000 12.666) 12.827 14.250 ( 0.282 0.000 -10.369) 10.373 14.250 ( 0.282 0.000 10.369) 10.373 ======================= Grid point 316 (99/100) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 3.797 0.000 -4.855) 6.164 2.828 ( 3.797 0.000 4.855) 6.164 3.063 ( -3.988 0.000 -4.404) 5.941 3.063 ( -3.988 0.000 4.404) 5.941 3.679 ( 1.531 -0.000 -9.540) 9.663 3.679 ( 1.531 0.000 9.540) 9.663 3.939 ( -5.459 -0.000 -19.782) 20.521 3.939 ( -5.459 -0.000 19.782) 20.521 4.240 ( -1.947 0.000 -6.237) 6.534 4.240 ( -1.947 -0.000 6.237) 6.534 4.478 ( -9.355 0.000 -10.580) 14.123 4.478 ( -9.355 -0.000 10.580) 14.123 5.017 ( 3.064 0.000 -5.623) 6.403 5.017 ( 3.064 0.000 5.623) 6.403 5.101 ( -0.096 -0.000 -5.404) 5.405 5.101 ( -0.096 0.000 5.404) 5.405 5.762 ( -1.027 -0.000 -5.420) 5.516 5.762 ( -1.027 0.000 5.420) 5.516 5.798 ( -4.844 -0.000 -4.433) 6.567 5.798 ( -4.844 0.000 4.433) 6.567 6.311 ( 2.999 -0.000 -12.743) 13.091 6.311 ( 2.999 0.000 12.743) 13.091 6.410 ( 1.336 0.000 -11.615) 11.691 6.410 ( 1.336 0.000 11.615) 11.691 6.684 ( 13.806 0.000 -6.005) 15.055 6.684 ( 13.806 0.000 6.005) 15.055 6.968 ( -3.136 0.000 -5.344) 6.196 6.968 ( -3.136 0.000 5.344) 6.196 7.422 ( 11.037 0.000 -9.185) 14.359 7.422 ( 11.037 0.000 9.185) 14.359 7.542 ( 2.077 0.000 -8.986) 9.223 7.542 ( 2.077 0.000 8.986) 9.223 8.673 ( 0.302 0.000 -4.650) 4.660 8.673 ( 0.302 0.000 4.650) 4.660 8.689 ( -0.505 0.000 -3.024) 3.066 8.689 ( -0.505 -0.000 3.024) 3.066 9.103 ( -0.818 -0.000 -7.205) 7.251 9.103 ( -0.818 -0.000 7.205) 7.251 9.216 ( -3.082 0.000 -2.122) 3.742 9.216 ( -3.082 0.000 2.122) 3.742 9.735 ( -2.382 -0.000 -5.539) 6.030 9.735 ( -2.382 0.000 5.539) 6.030 9.749 ( -3.565 0.000 -8.109) 8.858 9.749 ( -3.565 0.000 8.109) 8.858 10.237 ( 2.374 -0.000 -6.752) 7.157 10.237 ( 2.374 0.000 6.752) 7.157 10.246 ( 2.348 0.000 -2.692) 3.572 10.246 ( 2.348 0.000 2.692) 3.572 10.709 ( 0.589 0.000 -4.167) 4.209 10.709 ( 0.589 0.000 4.167) 4.209 10.734 ( -0.164 0.000 -0.196) 0.256 10.734 ( -0.164 -0.000 0.196) 0.256 13.265 ( -0.197 0.000 -17.634) 17.635 13.265 ( -0.197 0.000 17.634) 17.635 13.375 ( -3.700 0.000 -13.293) 13.799 13.375 ( -3.700 0.000 13.293) 13.799 14.164 ( 0.636 0.000 -13.110) 13.126 14.164 ( 0.636 -0.000 13.110) 13.126 14.235 ( -1.675 0.000 -10.766) 10.896 14.235 ( -1.675 0.000 10.766) 10.896 ======================= Grid point 320 (100/100) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -7.483 0.000 -5.897) 9.527 2.946 ( 7.483 0.000 -5.897) 9.527 2.946 ( -7.483 0.000 5.897) 9.527 2.946 ( 7.483 0.000 5.897) 9.527 3.776 ( -8.495 -0.000 -14.336) 16.664 3.776 ( 8.495 -0.000 -14.336) 16.664 3.776 ( -8.495 0.000 14.336) 16.664 3.776 ( 8.495 -0.000 14.336) 16.664 4.313 ( -7.497 0.000 -10.535) 12.930 4.313 ( 7.497 0.000 -10.535) 12.930 4.313 ( -7.497 0.000 10.535) 12.930 4.313 ( 7.497 0.000 10.535) 12.930 5.071 ( -2.557 0.000 -2.042) 3.272 5.071 ( 2.557 0.000 -2.042) 3.272 5.071 ( -2.557 0.000 2.042) 3.272 5.071 ( 2.557 0.000 2.042) 3.272 5.758 ( -0.397 0.000 -4.202) 4.221 5.758 ( 0.397 0.000 -4.202) 4.221 5.758 ( -0.397 0.000 4.202) 4.221 5.758 ( 0.397 0.000 4.202) 4.221 6.379 ( -3.590 -0.000 -11.971) 12.498 6.379 ( 3.590 -0.000 -11.971) 12.498 6.379 ( -3.590 0.000 11.971) 12.498 6.379 ( 3.590 0.000 11.971) 12.498 6.890 ( -6.966 0.000 -4.900) 8.516 6.890 ( 6.966 0.000 -4.900) 8.516 6.890 ( -6.966 0.000 4.900) 8.516 6.890 ( 6.966 0.000 4.900) 8.516 7.536 ( -2.396 0.000 -0.805) 2.528 7.536 ( 2.396 0.000 -0.805) 2.528 7.536 ( -2.396 0.000 0.805) 2.528 7.536 ( 2.396 -0.000 0.805) 2.528 8.690 ( -0.538 0.000 -7.550) 7.570 8.690 ( 0.538 0.000 -7.550) 7.570 8.690 ( -0.538 0.000 7.550) 7.570 8.690 ( 0.538 0.000 7.550) 7.570 9.130 ( -4.178 0.000 -5.167) 6.645 9.130 ( 4.178 0.000 -5.167) 6.645 9.130 ( -4.178 0.000 5.167) 6.645 9.130 ( 4.178 0.000 5.167) 6.645 9.715 ( -0.235 0.000 -7.532) 7.536 9.715 ( 0.235 0.000 -7.532) 7.536 9.715 ( -0.235 0.000 7.532) 7.536 9.715 ( 0.235 0.000 7.532) 7.536 10.264 ( -0.376 0.000 -4.305) 4.321 10.264 ( 0.376 0.000 -4.305) 4.321 10.264 ( -0.376 0.000 4.305) 4.321 10.264 ( 0.376 0.000 4.305) 4.321 10.724 ( -0.819 0.000 -2.641) 2.765 10.724 ( 0.819 0.000 -2.641) 2.765 10.724 ( -0.819 0.000 2.641) 2.765 10.724 ( 0.819 0.000 2.641) 2.765 13.299 ( -3.544 0.000 -16.750) 17.121 13.299 ( 3.544 0.000 -16.750) 17.121 13.299 ( -3.544 0.000 16.750) 17.121 13.299 ( 3.544 0.000 16.750) 17.121 14.195 ( -2.254 0.000 -12.145) 12.353 14.195 ( 2.254 0.000 -12.145) 12.353 14.195 ( -2.254 0.000 12.145) 12.353 14.195 ( 2.254 0.000 12.145) 12.353 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23040 10.0 1850.479 1550.751 2028.021 0.000 0.000 0.000 3/23040 20.0 775.698 720.709 670.118 0.000 0.000 0.000 3/23040 30.0 241.252 244.936 234.441 0.000 0.000 0.000 3/23040 40.0 112.582 113.789 111.274 0.000 0.000 0.000 3/23040 50.0 65.540 65.658 65.473 0.000 0.000 0.000 3/23040 60.0 43.297 43.244 43.669 0.000 0.000 0.000 3/23040 70.0 31.049 31.045 31.564 0.000 0.000 0.000 3/23040 80.0 23.613 23.688 24.159 0.000 0.000 0.000 3/23040 90.0 18.775 18.914 19.310 0.000 0.000 0.000 3/23040 100.0 15.452 15.636 15.963 0.000 0.000 0.000 3/23040 110.0 13.069 13.281 13.552 0.000 0.000 0.000 3/23040 120.0 11.297 11.526 11.754 0.000 0.000 0.000 3/23040 130.0 9.939 10.176 10.370 0.000 0.000 0.000 3/23040 140.0 8.870 9.110 9.279 0.000 0.000 0.000 3/23040 150.0 8.010 8.249 8.399 0.000 0.000 0.000 3/23040 160.0 7.306 7.540 7.676 0.000 0.000 0.000 3/23040 170.0 6.718 6.948 7.072 0.000 0.000 0.000 3/23040 180.0 6.221 6.445 6.559 0.000 0.000 0.000 3/23040 190.0 5.795 6.013 6.120 0.000 0.000 0.000 3/23040 200.0 5.426 5.637 5.738 0.000 0.000 0.000 3/23040 210.0 5.104 5.308 5.403 0.000 0.000 0.000 3/23040 220.0 4.819 5.017 5.108 0.000 0.000 0.000 3/23040 230.0 4.566 4.758 4.844 0.000 0.000 0.000 3/23040 240.0 4.340 4.525 4.608 0.000 0.000 0.000 3/23040 250.0 4.136 4.315 4.395 0.000 0.000 0.000 3/23040 260.0 3.951 4.125 4.202 0.000 0.000 0.000 3/23040 270.0 3.783 3.951 4.026 0.000 0.000 0.000 3/23040 280.0 3.629 3.792 3.865 0.000 0.000 0.000 3/23040 290.0 3.488 3.646 3.716 0.000 0.000 0.000 3/23040 300.0 3.357 3.511 3.579 0.000 0.000 0.000 3/23040 310.0 3.237 3.386 3.453 0.000 0.000 0.000 3/23040 320.0 3.125 3.270 3.335 0.000 0.000 0.000 3/23040 330.0 3.021 3.162 3.225 0.000 0.000 0.000 3/23040 340.0 2.924 3.061 3.123 0.000 0.000 0.000 3/23040 350.0 2.833 2.967 3.027 0.000 0.000 0.000 3/23040 360.0 2.748 2.878 2.937 0.000 0.000 0.000 3/23040 370.0 2.668 2.795 2.852 0.000 0.000 0.000 3/23040 380.0 2.593 2.717 2.773 0.000 0.000 0.000 3/23040 390.0 2.522 2.643 2.697 0.000 0.000 0.000 3/23040 400.0 2.455 2.573 2.626 0.000 0.000 0.000 3/23040 410.0 2.391 2.506 2.559 0.000 0.000 0.000 3/23040 420.0 2.331 2.443 2.495 0.000 0.000 0.000 3/23040 430.0 2.273 2.384 2.434 0.000 0.000 0.000 3/23040 440.0 2.219 2.327 2.376 0.000 0.000 0.000 3/23040 450.0 2.167 2.273 2.321 0.000 0.000 0.000 3/23040 460.0 2.118 2.221 2.269 0.000 0.000 0.000 3/23040 470.0 2.071 2.172 2.218 0.000 0.000 0.000 3/23040 480.0 2.026 2.125 2.171 0.000 0.000 0.000 3/23040 490.0 1.983 2.080 2.125 0.000 0.000 0.000 3/23040 500.0 1.941 2.037 2.081 0.000 0.000 0.000 3/23040 510.0 1.902 1.995 2.039 0.000 0.000 0.000 3/23040 520.0 1.864 1.955 1.998 0.000 0.000 0.000 3/23040 530.0 1.827 1.917 1.959 0.000 0.000 0.000 3/23040 540.0 1.792 1.881 1.922 0.000 0.000 0.000 3/23040 550.0 1.759 1.846 1.886 0.000 0.000 0.000 3/23040 560.0 1.726 1.812 1.852 0.000 0.000 0.000 3/23040 570.0 1.695 1.779 1.818 0.000 0.000 0.000 3/23040 580.0 1.665 1.747 1.786 0.000 0.000 0.000 3/23040 590.0 1.636 1.717 1.755 0.000 0.000 0.000 3/23040 600.0 1.608 1.688 1.725 0.000 0.000 0.000 3/23040 610.0 1.581 1.659 1.696 0.000 0.000 0.000 3/23040 620.0 1.555 1.632 1.668 0.000 0.000 0.000 3/23040 630.0 1.530 1.606 1.641 0.000 0.000 0.000 3/23040 640.0 1.505 1.580 1.615 0.000 0.000 0.000 3/23040 650.0 1.481 1.555 1.590 0.000 0.000 0.000 3/23040 660.0 1.458 1.531 1.565 0.000 0.000 0.000 3/23040 670.0 1.436 1.508 1.542 0.000 0.000 0.000 3/23040 680.0 1.415 1.485 1.519 0.000 0.000 0.000 3/23040 690.0 1.394 1.463 1.496 0.000 0.000 0.000 3/23040 700.0 1.373 1.442 1.475 0.000 0.000 0.000 3/23040 710.0 1.354 1.421 1.453 0.000 0.000 0.000 3/23040 720.0 1.335 1.401 1.433 0.000 0.000 0.000 3/23040 730.0 1.316 1.382 1.413 0.000 0.000 0.000 3/23040 740.0 1.298 1.363 1.394 0.000 0.000 0.000 3/23040 750.0 1.280 1.344 1.375 0.000 0.000 0.000 3/23040 760.0 1.263 1.326 1.356 0.000 0.000 0.000 3/23040 770.0 1.246 1.309 1.339 0.000 0.000 0.000 3/23040 780.0 1.230 1.292 1.321 0.000 0.000 0.000 3/23040 790.0 1.214 1.275 1.304 0.000 0.000 0.000 3/23040 800.0 1.199 1.259 1.288 0.000 0.000 0.000 3/23040 810.0 1.184 1.243 1.272 0.000 0.000 0.000 3/23040 820.0 1.169 1.228 1.256 0.000 0.000 0.000 3/23040 830.0 1.155 1.213 1.241 0.000 0.000 0.000 3/23040 840.0 1.141 1.198 1.226 0.000 0.000 0.000 3/23040 850.0 1.128 1.184 1.211 0.000 0.000 0.000 3/23040 860.0 1.114 1.170 1.197 0.000 0.000 0.000 3/23040 870.0 1.101 1.157 1.183 0.000 0.000 0.000 3/23040 880.0 1.089 1.143 1.170 0.000 0.000 0.000 3/23040 890.0 1.076 1.130 1.156 0.000 0.000 0.000 3/23040 900.0 1.064 1.118 1.143 0.000 0.000 0.000 3/23040 910.0 1.052 1.105 1.131 0.000 0.000 0.000 3/23040 920.0 1.041 1.093 1.118 0.000 0.000 0.000 3/23040 930.0 1.030 1.081 1.106 0.000 0.000 0.000 3/23040 940.0 1.018 1.070 1.094 0.000 0.000 0.000 3/23040 950.0 1.008 1.058 1.083 0.000 0.000 0.000 3/23040 960.0 0.997 1.047 1.071 0.000 0.000 0.000 3/23040 970.0 0.987 1.036 1.060 0.000 0.000 0.000 3/23040 980.0 0.977 1.026 1.049 0.000 0.000 0.000 3/23040 990.0 0.967 1.015 1.039 0.000 0.000 0.000 3/23040 1000.0 0.957 1.005 1.028 0.000 0.000 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m688.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:01:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|